Np mrd loader

Showing NP-Card for Salinamide F (NP0013286)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version1.0
Created at2021-01-05 22:41:54 UTC
Updated at2021-07-15 17:14:04 UTC
NP-MRD IDNP0013286
Secondary Accession NumbersNone
Natural Product Identification
Common NameSalinamide F
Provided ByNPAtlasNPAtlas Logo
Description Salinamide F is found in Streptomyces sp. It was first documented in 2015 (PMID: 25227504). Based on a literature review very few articles have been published on Salinamide F.
Structure
Thumb
MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0013286 (Salinamide F)


  Mrv1652307042106563D          

145148  0  0  0  0            999 V2000
    2.5696   -0.1296   -4.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469   -1.1528   -4.0706 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5558   -1.3384   -2.7165 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3273   -2.4728   -2.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -0.1187   -1.8193 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9939   -0.4795   -0.4973 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543   -0.0242    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    0.8608    1.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555   -0.2923    1.6873 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5986   -1.0041    1.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656   -0.4728    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    0.7908    0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8816   -1.2187    0.0656 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4717   -2.6412   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142   -0.4823   -1.1392 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6000    0.8621   -0.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7783   -0.8799   -1.5705 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9573   -2.2880   -1.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724    0.0609   -2.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -1.0501    2.8637 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1413   -2.2761    2.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -0.2932    3.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564   -0.4695    4.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538   -1.0917    5.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    0.1363    4.0950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5085   -0.8419    4.2873 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1722   -2.0158    3.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214   -2.7524    2.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137   -3.9458    3.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766   -2.3090    1.3806 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7721   -2.6146    1.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3815   -3.8974    1.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4435   -3.9055    2.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9307   -5.1234    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795   -5.2753   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0322   -5.1543   -1.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5024   -5.4642   -2.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0492   -6.2591   -1.2230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7244   -6.1857   -0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6183   -3.7888   -1.6013 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9962   -3.9449   -2.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -3.0801   -2.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936   -2.1025   -2.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1835   -0.7742   -2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    0.2290   -2.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -0.1185   -1.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -1.4643   -1.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -2.4340   -2.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280    0.9169   -1.5220 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2549    0.8851   -2.5512 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.8874   -2.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456    1.9012   -2.9051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084    2.3296   -1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    2.9936   -2.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674    3.1018   -0.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494    4.2940    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    2.9341    0.4501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0097    3.7451   -0.1595 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7999    5.1788   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1921    5.6993   -1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640    7.0446   -1.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393    7.9363   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479    7.3911    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1774    6.0454    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    2.9363    1.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1780    3.1529    2.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652    2.7777    2.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535    3.4880    3.5212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3873    4.6956    4.3728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1800    5.7062    3.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672    5.3111    4.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059    2.6475    4.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    3.3098    5.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.3424    4.9209 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.7832   -5.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5198    0.1181   -4.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504   -0.5583   -6.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874   -2.1416   -4.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239   -0.7897   -3.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.7434   -2.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212   -3.3488   -2.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -2.1725   -2.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534   -2.6252   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    0.2584   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -1.1913   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    0.7288    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655   -2.0389    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083   -1.2372    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3895   -2.8069   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545   -3.3755    0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -2.7882   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615   -0.3981   -1.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2999    1.5006   -1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4795   -0.6504   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8909   -2.9956   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3569   -2.6567   -2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -2.3538   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290   -0.1335   -2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015    1.0739   -2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -0.1102   -3.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -1.4593    3.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -3.0334    3.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509   -2.0550    1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677   -2.6377    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.4246    3.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129   -0.4202    3.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   -1.0618    5.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -2.9648    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.2652    1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -1.7899    1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6003   -5.9826    1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723   -5.5318   -0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633   -4.6962   -3.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7816   -6.3507   -2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4539   -7.2215   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8529   -5.2876    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7563   -3.2326   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2530   -2.9719   -2.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7908   -4.1948   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9761   -4.6852   -3.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1994   -0.2958   -2.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7228    1.2260   -2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.0522   -1.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -3.4713   -2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590    0.6940   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    0.8808   -3.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    4.9438    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    4.7861   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    4.0016    0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334    1.8706    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8754    3.5537    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2510    3.2715   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616    5.0631   -2.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801    7.4715   -2.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    9.0168   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2405    8.1123    1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6640    5.7482    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    1.8773    3.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    3.7790    2.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947    4.2846    5.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    5.3408    3.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587    6.1527    2.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075    6.5788    4.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    6.1412    4.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    1.1308    5.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 36 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 46 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 49 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 62 63  1  0  0  0  0
 63 64  2  0  0  0  0
 57 65  1  0  0  0  0
 65 66  2  0  0  0  0
 65 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 71  1  0  0  0  0
 68 72  1  0  0  0  0
 72 73  2  0  0  0  0
 72 74  1  0  0  0  0
 51  5  1  0  0  0  0
 64 59  1  0  0  0  0
 74 25  1  0  0  0  0
 48 43  1  0  0  0  0
  1 75  1  0  0  0  0
  1 76  1  0  0  0  0
  1 77  1  0  0  0  0
  2 78  1  0  0  0  0
  2 79  1  0  0  0  0
  3 80  1  6  0  0  0
  4 81  1  0  0  0  0
  4 82  1  0  0  0  0
  4 83  1  0  0  0  0
  5 84  1  1  0  0  0
  6 85  1  0  0  0  0
  9 86  1  1  0  0  0
 10 87  1  0  0  0  0
 13 88  1  1  0  0  0
 14 89  1  0  0  0  0
 14 90  1  0  0  0  0
 14 91  1  0  0  0  0
 15 92  1  6  0  0  0
 16 93  1  0  0  0  0
 17 94  1  1  0  0  0
 18 95  1  0  0  0  0
 18 96  1  0  0  0  0
 18 97  1  0  0  0  0
 19 98  1  0  0  0  0
 19 99  1  0  0  0  0
 19100  1  0  0  0  0
 20101  1  1  0  0  0
 21102  1  0  0  0  0
 21103  1  0  0  0  0
 21104  1  0  0  0  0
 25105  1  6  0  0  0
 26106  1  0  0  0  0
 26107  1  0  0  0  0
 30108  1  0  0  0  0
 30109  1  0  0  0  0
 31110  1  0  0  0  0
 34111  1  0  0  0  0
 35112  1  0  0  0  0
 37113  1  0  0  0  0
 38114  1  0  0  0  0
 38115  1  0  0  0  0
 39116  1  0  0  0  0
 40117  1  1  0  0  0
 41118  1  0  0  0  0
 41119  1  0  0  0  0
 41120  1  0  0  0  0
 44121  1  0  0  0  0
 45122  1  0  0  0  0
 47123  1  0  0  0  0
 48124  1  0  0  0  0
 49125  1  1  0  0  0
 50126  1  0  0  0  0
 56127  1  0  0  0  0
 56128  1  0  0  0  0
 56129  1  0  0  0  0
 57130  1  6  0  0  0
 58131  1  0  0  0  0
 58132  1  0  0  0  0
 60133  1  0  0  0  0
 61134  1  0  0  0  0
 62135  1  0  0  0  0
 63136  1  0  0  0  0
 64137  1  0  0  0  0
 67138  1  0  0  0  0
 68139  1  6  0  0  0
 69140  1  1  0  0  0
 70141  1  0  0  0  0
 70142  1  0  0  0  0
 70143  1  0  0  0  0
 71144  1  0  0  0  0
 74145  1  0  0  0  0
M  END
Download

3D MOL for NP0013286 (Salinamide F)

     RDKit          3D

145148  0  0  0  0  0  0  0  0999 V2000
    2.5696   -0.1296   -4.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469   -1.1528   -4.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -1.3384   -2.7165 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3273   -2.4728   -2.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -0.1187   -1.8193 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9939   -0.4795   -0.4973 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543   -0.0242    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    0.8608    1.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555   -0.2923    1.6873 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5986   -1.0041    1.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656   -0.4728    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    0.7908    0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8816   -1.2187    0.0656 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4717   -2.6412   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142   -0.4823   -1.1392 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6000    0.8621   -0.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7783   -0.8799   -1.5705 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9573   -2.2880   -1.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724    0.0609   -2.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -1.0501    2.8637 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1413   -2.2761    2.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -0.2932    3.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564   -0.4695    4.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538   -1.0917    5.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    0.1363    4.0950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5085   -0.8419    4.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722   -2.0158    3.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214   -2.7524    2.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137   -3.9458    3.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766   -2.3090    1.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7721   -2.6146    1.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3815   -3.8974    1.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4435   -3.9055    2.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9307   -5.1234    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795   -5.2753   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0322   -5.1543   -1.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5024   -5.4642   -2.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0492   -6.2591   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7244   -6.1857   -0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6183   -3.7888   -1.6013 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9962   -3.9449   -2.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -3.0801   -2.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936   -2.1025   -2.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1835   -0.7742   -2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    0.2290   -2.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -0.1185   -1.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -1.4643   -1.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -2.4340   -2.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280    0.9169   -1.5220 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2549    0.8851   -2.5512 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.8874   -2.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456    1.9012   -2.9051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084    2.3296   -1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    2.9936   -2.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674    3.1018   -0.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494    4.2940    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    2.9341    0.4501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0097    3.7451   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999    5.1788   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1921    5.6993   -1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640    7.0446   -1.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393    7.9363   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479    7.3911    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1774    6.0454    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    2.9363    1.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1780    3.1529    2.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652    2.7777    2.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535    3.4880    3.5212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3873    4.6956    4.3728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1800    5.7062    3.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672    5.3111    4.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059    2.6475    4.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    3.3098    5.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.3424    4.9209 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.7832   -5.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5198    0.1181   -4.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504   -0.5583   -6.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874   -2.1416   -4.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239   -0.7897   -3.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.7434   -2.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212   -3.3488   -2.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -2.1725   -2.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534   -2.6252   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    0.2584   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -1.1913   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    0.7288    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655   -2.0389    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083   -1.2372    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3895   -2.8069   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545   -3.3755    0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -2.7882   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615   -0.3981   -1.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2999    1.5006   -1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4795   -0.6504   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8909   -2.9956   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3569   -2.6567   -2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -2.3538   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290   -0.1335   -2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015    1.0739   -2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -0.1102   -3.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -1.4593    3.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -3.0334    3.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509   -2.0550    1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677   -2.6377    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.4246    3.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129   -0.4202    3.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   -1.0618    5.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -2.9648    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.2652    1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -1.7899    1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6003   -5.9826    1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723   -5.5318   -0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633   -4.6962   -3.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7816   -6.3507   -2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4539   -7.2215   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8529   -5.2876    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7563   -3.2326   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2530   -2.9719   -2.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7908   -4.1948   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9761   -4.6852   -3.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1994   -0.2958   -2.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7228    1.2260   -2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.0522   -1.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -3.4713   -2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590    0.6940   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    0.8808   -3.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    4.9438    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    4.7861   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    4.0016    0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334    1.8706    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8754    3.5537    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2510    3.2715   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616    5.0631   -2.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801    7.4715   -2.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    9.0168   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2405    8.1123    1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6640    5.7482    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    1.8773    3.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    3.7790    2.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947    4.2846    5.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    5.3408    3.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587    6.1527    2.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075    6.5788    4.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    6.1412    4.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    1.1308    5.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
  9 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  1  0
 36 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 46 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 49 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 55 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 63  1  0
 63 64  2  0
 57 65  1  0
 65 66  2  0
 65 67  1  0
 67 68  1  0
 68 69  1  0
 69 70  1  0
 69 71  1  0
 68 72  1  0
 72 73  2  0
 72 74  1  0
 51  5  1  0
 64 59  1  0
 74 25  1  0
 48 43  1  0
  1 75  1  0
  1 76  1  0
  1 77  1  0
  2 78  1  0
  2 79  1  0
  3 80  1  6
  4 81  1  0
  4 82  1  0
  4 83  1  0
  5 84  1  1
  6 85  1  0
  9 86  1  1
 10 87  1  0
 13 88  1  1
 14 89  1  0
 14 90  1  0
 14 91  1  0
 15 92  1  6
 16 93  1  0
 17 94  1  1
 18 95  1  0
 18 96  1  0
 18 97  1  0
 19 98  1  0
 19 99  1  0
 19100  1  0
 20101  1  1
 21102  1  0
 21103  1  0
 21104  1  0
 25105  1  6
 26106  1  0
 26107  1  0
 30108  1  0
 30109  1  0
 31110  1  0
 34111  1  0
 35112  1  0
 37113  1  0
 38114  1  0
 38115  1  0
 39116  1  0
 40117  1  1
 41118  1  0
 41119  1  0
 41120  1  0
 44121  1  0
 45122  1  0
 47123  1  0
 48124  1  0
 49125  1  1
 50126  1  0
 56127  1  0
 56128  1  0
 56129  1  0
 57130  1  6
 58131  1  0
 58132  1  0
 60133  1  0
 61134  1  0
 62135  1  0
 63136  1  0
 64137  1  0
 67138  1  0
 68139  1  6
 69140  1  1
 70141  1  0
 70142  1  0
 70143  1  0
 71144  1  0
 74145  1  0
M  END
Download

3D SDF for NP0013286 (Salinamide F)


  Mrv1652307042106563D          

145148  0  0  0  0            999 V2000
    2.5696   -0.1296   -4.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469   -1.1528   -4.0706 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5558   -1.3384   -2.7165 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3273   -2.4728   -2.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -0.1187   -1.8193 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9939   -0.4795   -0.4973 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543   -0.0242    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    0.8608    1.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555   -0.2923    1.6873 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5986   -1.0041    1.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656   -0.4728    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    0.7908    0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8816   -1.2187    0.0656 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4717   -2.6412   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142   -0.4823   -1.1392 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6000    0.8621   -0.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7783   -0.8799   -1.5705 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9573   -2.2880   -1.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724    0.0609   -2.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -1.0501    2.8637 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1413   -2.2761    2.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -0.2932    3.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564   -0.4695    4.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538   -1.0917    5.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    0.1363    4.0950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5085   -0.8419    4.2873 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1722   -2.0158    3.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214   -2.7524    2.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137   -3.9458    3.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766   -2.3090    1.3806 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7721   -2.6146    1.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3815   -3.8974    1.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4435   -3.9055    2.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9307   -5.1234    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795   -5.2753   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0322   -5.1543   -1.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5024   -5.4642   -2.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0492   -6.2591   -1.2230 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7244   -6.1857   -0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6183   -3.7888   -1.6013 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9962   -3.9449   -2.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -3.0801   -2.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936   -2.1025   -2.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1835   -0.7742   -2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    0.2290   -2.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -0.1185   -1.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -1.4643   -1.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -2.4340   -2.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280    0.9169   -1.5220 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2549    0.8851   -2.5512 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.8874   -2.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456    1.9012   -2.9051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084    2.3296   -1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    2.9936   -2.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674    3.1018   -0.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494    4.2940    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    2.9341    0.4501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0097    3.7451   -0.1595 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7999    5.1788   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1921    5.6993   -1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640    7.0446   -1.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393    7.9363   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479    7.3911    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1774    6.0454    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    2.9363    1.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1780    3.1529    2.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652    2.7777    2.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535    3.4880    3.5212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3873    4.6956    4.3728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1800    5.7062    3.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672    5.3111    4.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059    2.6475    4.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    3.3098    5.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.3424    4.9209 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.7832   -5.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5198    0.1181   -4.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504   -0.5583   -6.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874   -2.1416   -4.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239   -0.7897   -3.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.7434   -2.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212   -3.3488   -2.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -2.1725   -2.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534   -2.6252   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    0.2584   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -1.1913   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    0.7288    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655   -2.0389    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083   -1.2372    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3895   -2.8069   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545   -3.3755    0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -2.7882   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615   -0.3981   -1.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2999    1.5006   -1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4795   -0.6504   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8909   -2.9956   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3569   -2.6567   -2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -2.3538   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290   -0.1335   -2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015    1.0739   -2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -0.1102   -3.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -1.4593    3.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -3.0334    3.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509   -2.0550    1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677   -2.6377    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.4246    3.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129   -0.4202    3.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   -1.0618    5.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -2.9648    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.2652    1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -1.7899    1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6003   -5.9826    1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723   -5.5318   -0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633   -4.6962   -3.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7816   -6.3507   -2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4539   -7.2215   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8529   -5.2876    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7563   -3.2326   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2530   -2.9719   -2.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7908   -4.1948   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9761   -4.6852   -3.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1994   -0.2958   -2.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7228    1.2260   -2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.0522   -1.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -3.4713   -2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590    0.6940   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    0.8808   -3.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    4.9438    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    4.7861   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    4.0016    0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334    1.8706    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8754    3.5537    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2510    3.2715   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616    5.0631   -2.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801    7.4715   -2.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    9.0168   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2405    8.1123    1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6640    5.7482    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    1.8773    3.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    3.7790    2.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947    4.2846    5.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    5.3408    3.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587    6.1527    2.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075    6.5788    4.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    6.1412    4.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    1.1308    5.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 36 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 46 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 49 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 62 63  1  0  0  0  0
 63 64  2  0  0  0  0
 57 65  1  0  0  0  0
 65 66  2  0  0  0  0
 65 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 71  1  0  0  0  0
 68 72  1  0  0  0  0
 72 73  2  0  0  0  0
 72 74  1  0  0  0  0
 51  5  1  0  0  0  0
 64 59  1  0  0  0  0
 74 25  1  0  0  0  0
 48 43  1  0  0  0  0
  1 75  1  0  0  0  0
  1 76  1  0  0  0  0
  1 77  1  0  0  0  0
  2 78  1  0  0  0  0
  2 79  1  0  0  0  0
  3 80  1  6  0  0  0
  4 81  1  0  0  0  0
  4 82  1  0  0  0  0
  4 83  1  0  0  0  0
  5 84  1  1  0  0  0
  6 85  1  0  0  0  0
  9 86  1  1  0  0  0
 10 87  1  0  0  0  0
 13 88  1  1  0  0  0
 14 89  1  0  0  0  0
 14 90  1  0  0  0  0
 14 91  1  0  0  0  0
 15 92  1  6  0  0  0
 16 93  1  0  0  0  0
 17 94  1  1  0  0  0
 18 95  1  0  0  0  0
 18 96  1  0  0  0  0
 18 97  1  0  0  0  0
 19 98  1  0  0  0  0
 19 99  1  0  0  0  0
 19100  1  0  0  0  0
 20101  1  1  0  0  0
 21102  1  0  0  0  0
 21103  1  0  0  0  0
 21104  1  0  0  0  0
 25105  1  6  0  0  0
 26106  1  0  0  0  0
 26107  1  0  0  0  0
 30108  1  0  0  0  0
 30109  1  0  0  0  0
 31110  1  0  0  0  0
 34111  1  0  0  0  0
 35112  1  0  0  0  0
 37113  1  0  0  0  0
 38114  1  0  0  0  0
 38115  1  0  0  0  0
 39116  1  0  0  0  0
 40117  1  1  0  0  0
 41118  1  0  0  0  0
 41119  1  0  0  0  0
 41120  1  0  0  0  0
 44121  1  0  0  0  0
 45122  1  0  0  0  0
 47123  1  0  0  0  0
 48124  1  0  0  0  0
 49125  1  1  0  0  0
 50126  1  0  0  0  0
 56127  1  0  0  0  0
 56128  1  0  0  0  0
 56129  1  0  0  0  0
 57130  1  6  0  0  0
 58131  1  0  0  0  0
 58132  1  0  0  0  0
 60133  1  0  0  0  0
 61134  1  0  0  0  0
 62135  1  0  0  0  0
 63136  1  0  0  0  0
 64137  1  0  0  0  0
 67138  1  0  0  0  0
 68139  1  6  0  0  0
 69140  1  1  0  0  0
 70141  1  0  0  0  0
 70142  1  0  0  0  0
 70143  1  0  0  0  0
 71144  1  0  0  0  0
 74145  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0013286

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC([H])([H])[C@]1(O[H])\C([H])=C([H])/C(=O)N([H])C([H])([H])C(=O)OC([H])([H])[C@@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(OC2=O)C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C([H])C([H])=C(O[C@@]1([H])C([H])([H])[H])C([H])=C2[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C51H71N7O16/c1-10-27(4)39-46(66)57-42-33-16-18-34(19-17-33)74-31(8)51(71,25-59)21-20-37(61)52-23-38(62)72-24-35(50(70)73-30(7)41(48(68)54-39)56-44(64)28(5)43(63)26(2)3)53-47(67)40(29(6)60)55-45(65)36(58(9)49(42)69)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,59-60,63,71H,10,22-25H2,1-9H3,(H,52,61)(H,53,67)(H,54,68)(H,55,65)(H,56,64)(H,57,66)/b21-20-/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1

> <INCHI_KEY>
QDRISVFLDJIQNB-CHKOLDIQSA-N

> <FORMULA>
C51H71N7O16

> <MOLECULAR_WEIGHT>
1038.162

> <EXACT_MASS>
1037.495729234

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
145

> <JCHEM_AVERAGE_POLARIZABILITY>
106.85026993136015

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S)-N-[(1R,7S,8R,9Z,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexaazatricyclo[15.9.8.2^{2,5}]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide

> <ALOGPS_LOGP>
1.43

> <JCHEM_LOGP>
-0.6602041243333325

> <ALOGPS_LOGS>
-4.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.497659205429953

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.07332753577165

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1267018385787386

> <JCHEM_POLAR_SURFACE_AREA>
337.6599999999999

> <JCHEM_REFRACTIVITY>
262.5874

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S)-N-[(1R,7S,8R,9Z,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexaazatricyclo[15.9.8.2^{2,5}]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0013286 (Salinamide F)

     RDKit          3D

145148  0  0  0  0  0  0  0  0999 V2000
    2.5696   -0.1296   -4.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469   -1.1528   -4.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5558   -1.3384   -2.7165 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3273   -2.4728   -2.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -0.1187   -1.8193 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9939   -0.4795   -0.4973 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543   -0.0242    0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    0.8608    1.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4555   -0.2923    1.6873 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5986   -1.0041    1.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656   -0.4728    0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369    0.7908    0.1926 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8816   -1.2187    0.0656 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4717   -2.6412   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142   -0.4823   -1.1392 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6000    0.8621   -0.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7783   -0.8799   -1.5705 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9573   -2.2880   -1.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724    0.0609   -2.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -1.0501    2.8637 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1413   -2.2761    2.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -0.2932    3.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564   -0.4695    4.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8538   -1.0917    5.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    0.1363    4.0950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5085   -0.8419    4.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1722   -2.0158    3.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9214   -2.7524    2.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137   -3.9458    3.0255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3766   -2.3090    1.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7721   -2.6146    1.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3815   -3.8974    1.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4435   -3.9055    2.1123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9307   -5.1234    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795   -5.2753   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0322   -5.1543   -1.4483 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5024   -5.4642   -2.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0492   -6.2591   -1.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7244   -6.1857   -0.0323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6183   -3.7888   -1.6013 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9962   -3.9449   -2.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -3.0801   -2.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936   -2.1025   -2.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1835   -0.7742   -2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    0.2290   -2.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -0.1185   -1.8385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -1.4643   -1.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5950   -2.4340   -2.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8280    0.9169   -1.5220 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2549    0.8851   -2.5512 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.8874   -2.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456    1.9012   -2.9051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2084    2.3296   -1.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    2.9936   -2.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674    3.1018   -0.2885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494    4.2940    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575    2.9341    0.4501 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0097    3.7451   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7999    5.1788   -0.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1921    5.6993   -1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9640    7.0446   -1.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3393    7.9363   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9479    7.3911    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1774    6.0454    0.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103    2.9363    1.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1780    3.1529    2.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652    2.7777    2.9616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9535    3.4880    3.5212 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3873    4.6956    4.3728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1800    5.7062    3.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672    5.3111    4.9283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2059    2.6475    4.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    3.3098    5.0441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.3424    4.9209 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.7832   -5.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5198    0.1181   -4.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504   -0.5583   -6.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874   -2.1416   -4.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2239   -0.7897   -3.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128   -1.7434   -2.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212   -3.3488   -2.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -2.1725   -2.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534   -2.6252   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    0.2584   -1.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -1.1913   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    0.7288    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6655   -2.0389    1.4786 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6083   -1.2372    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3895   -2.8069   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0545   -3.3755    0.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6147   -2.7882   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6615   -0.3981   -1.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2999    1.5006   -1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4795   -0.6504   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8909   -2.9956   -1.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3569   -2.6567   -2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -2.3538   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2290   -0.1335   -2.9654 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015    1.0739   -2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -0.1102   -3.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160   -1.4593    3.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0154   -3.0334    3.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1509   -2.0550    1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677   -2.6377    1.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3985    0.4246    3.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4129   -0.4202    3.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   -1.0618    5.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8540   -2.9648    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.2652    1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -1.7899    1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6003   -5.9826    1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723   -5.5318   -0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633   -4.6962   -3.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7816   -6.3507   -2.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4539   -7.2215   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8529   -5.2876    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7563   -3.2326   -0.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2530   -2.9719   -2.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7908   -4.1948   -1.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9761   -4.6852   -3.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1994   -0.2958   -2.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7228    1.2260   -2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.0522   -1.7083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -3.4713   -2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2590    0.6940   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    0.8808   -3.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    4.9438    0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5186    4.7861   -0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    4.0016    0.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2334    1.8706    0.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8754    3.5537    0.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2510    3.2715   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616    5.0631   -2.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801    7.4715   -2.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    9.0168   -0.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2405    8.1123    1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6640    5.7482    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2715    1.8773    3.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    3.7790    2.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947    4.2846    5.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    5.3408    3.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6587    6.1527    2.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3075    6.5788    4.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    6.1412    4.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932    1.1308    5.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
  9 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  1  0
 36 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 46 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 49 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 55 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 63  1  0
 63 64  2  0
 57 65  1  0
 65 66  2  0
 65 67  1  0
 67 68  1  0
 68 69  1  0
 69 70  1  0
 69 71  1  0
 68 72  1  0
 72 73  2  0
 72 74  1  0
 51  5  1  0
 64 59  1  0
 74 25  1  0
 48 43  1  0
  1 75  1  0
  1 76  1  0
  1 77  1  0
  2 78  1  0
  2 79  1  0
  3 80  1  6
  4 81  1  0
  4 82  1  0
  4 83  1  0
  5 84  1  1
  6 85  1  0
  9 86  1  1
 10 87  1  0
 13 88  1  1
 14 89  1  0
 14 90  1  0
 14 91  1  0
 15 92  1  6
 16 93  1  0
 17 94  1  1
 18 95  1  0
 18 96  1  0
 18 97  1  0
 19 98  1  0
 19 99  1  0
 19100  1  0
 20101  1  1
 21102  1  0
 21103  1  0
 21104  1  0
 25105  1  6
 26106  1  0
 26107  1  0
 30108  1  0
 30109  1  0
 31110  1  0
 34111  1  0
 35112  1  0
 37113  1  0
 38114  1  0
 38115  1  0
 39116  1  0
 40117  1  1
 41118  1  0
 41119  1  0
 41120  1  0
 44121  1  0
 45122  1  0
 47123  1  0
 48124  1  0
 49125  1  1
 50126  1  0
 56127  1  0
 56128  1  0
 56129  1  0
 57130  1  6
 58131  1  0
 58132  1  0
 60133  1  0
 61134  1  0
 62135  1  0
 63136  1  0
 64137  1  0
 67138  1  0
 68139  1  6
 69140  1  1
 70141  1  0
 70142  1  0
 70143  1  0
 71144  1  0
 74145  1  0
M  END
Download

PDB for NP0013286 (Salinamide F)

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0       2.570  -0.130  -4.981  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.147  -1.153  -4.071  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.556  -1.338  -2.716  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.327  -2.473  -2.020  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.543  -0.119  -1.819  0.00  0.00           C+0
HETATM    6  N   UNK     0       1.994  -0.480  -0.497  0.00  0.00           N+0
HETATM    7  C   UNK     0       2.354  -0.024   0.761  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.540   0.861   1.297  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.455  -0.292   1.687  0.00  0.00           C+0
HETATM   10  N   UNK     0       4.599  -1.004   1.226  0.00  0.00           N+0
HETATM   11  C   UNK     0       5.666  -0.473   0.510  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.637   0.791   0.193  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.882  -1.219   0.066  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.472  -2.641  -0.281  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.414  -0.482  -1.139  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.600   0.862  -0.615  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.778  -0.880  -1.571  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.957  -2.288  -1.941  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.172   0.061  -2.733  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.812  -1.050   2.864  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.141  -2.276   2.278  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.010  -0.293   3.671  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.956  -0.470   4.474  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.854  -1.092   5.579  0.00  0.00           O+0
HETATM   25  C   UNK     0      -0.381   0.136   4.095  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.508  -0.842   4.287  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.172  -2.016   3.585  0.00  0.00           O+0
HETATM   28  C   UNK     0      -1.921  -2.752   2.729  0.00  0.00           C+0
HETATM   29  O   UNK     0      -2.314  -3.946   3.026  0.00  0.00           O+0
HETATM   30  C   UNK     0      -2.377  -2.309   1.381  0.00  0.00           C+0
HETATM   31  N   UNK     0      -3.772  -2.615   1.246  0.00  0.00           N+0
HETATM   32  C   UNK     0      -4.381  -3.897   1.371  0.00  0.00           C+0
HETATM   33  O   UNK     0      -5.444  -3.906   2.112  0.00  0.00           O+0
HETATM   34  C   UNK     0      -3.931  -5.123   0.773  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.880  -5.275  -0.541  0.00  0.00           C+0
HETATM   36  C   UNK     0      -5.032  -5.154  -1.448  0.00  0.00           C+0
HETATM   37  O   UNK     0      -4.502  -5.464  -2.733  0.00  0.00           O+0
HETATM   38  C   UNK     0      -6.049  -6.259  -1.223  0.00  0.00           C+0
HETATM   39  O   UNK     0      -6.724  -6.186  -0.032  0.00  0.00           O+0
HETATM   40  C   UNK     0      -5.618  -3.789  -1.601  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.996  -3.945  -2.263  0.00  0.00           C+0
HETATM   42  O   UNK     0      -4.860  -3.080  -2.567  0.00  0.00           O+0
HETATM   43  C   UNK     0      -3.894  -2.103  -2.333  0.00  0.00           C+0
HETATM   44  C   UNK     0      -4.184  -0.774  -2.321  0.00  0.00           C+0
HETATM   45  C   UNK     0      -3.199   0.229  -2.077  0.00  0.00           C+0
HETATM   46  C   UNK     0      -1.892  -0.119  -1.839  0.00  0.00           C+0
HETATM   47  C   UNK     0      -1.594  -1.464  -1.854  0.00  0.00           C+0
HETATM   48  C   UNK     0      -2.595  -2.434  -2.102  0.00  0.00           C+0
HETATM   49  C   UNK     0      -0.828   0.917  -1.522  0.00  0.00           C+0
HETATM   50  N   UNK     0       0.255   0.885  -2.551  0.00  0.00           N+0
HETATM   51  C   UNK     0       1.601   0.887  -2.431  0.00  0.00           C+0
HETATM   52  O   UNK     0       2.246   1.901  -2.905  0.00  0.00           O+0
HETATM   53  C   UNK     0      -1.208   2.330  -1.373  0.00  0.00           C+0
HETATM   54  O   UNK     0      -1.083   2.994  -2.521  0.00  0.00           O+0
HETATM   55  N   UNK     0      -1.667   3.102  -0.289  0.00  0.00           N+0
HETATM   56  C   UNK     0      -0.849   4.294   0.084  0.00  0.00           C+0
HETATM   57  C   UNK     0      -2.857   2.934   0.450  0.00  0.00           C+0
HETATM   58  C   UNK     0      -4.010   3.745  -0.160  0.00  0.00           C+0
HETATM   59  C   UNK     0      -3.800   5.179  -0.237  0.00  0.00           C+0
HETATM   60  C   UNK     0      -3.192   5.699  -1.354  0.00  0.00           C+0
HETATM   61  C   UNK     0      -2.964   7.045  -1.499  0.00  0.00           C+0
HETATM   62  C   UNK     0      -3.339   7.936  -0.516  0.00  0.00           C+0
HETATM   63  C   UNK     0      -3.948   7.391   0.597  0.00  0.00           C+0
HETATM   64  C   UNK     0      -4.177   6.045   0.743  0.00  0.00           C+0
HETATM   65  C   UNK     0      -2.910   2.936   1.902  0.00  0.00           C+0
HETATM   66  O   UNK     0      -4.178   3.153   2.257  0.00  0.00           O+0
HETATM   67  N   UNK     0      -2.065   2.778   2.962  0.00  0.00           N+0
HETATM   68  C   UNK     0      -0.954   3.488   3.521  0.00  0.00           C+0
HETATM   69  C   UNK     0      -1.387   4.696   4.373  0.00  0.00           C+0
HETATM   70  C   UNK     0      -2.180   5.706   3.620  0.00  0.00           C+0
HETATM   71  O   UNK     0      -0.267   5.311   4.928  0.00  0.00           O+0
HETATM   72  C   UNK     0      -0.206   2.648   4.549  0.00  0.00           C+0
HETATM   73  O   UNK     0       0.778   3.310   5.044  0.00  0.00           O+0
HETATM   74  N   UNK     0      -0.522   1.342   4.921  0.00  0.00           N+0
HETATM   75  H   UNK     0       3.232   0.783  -5.072  0.00  0.00           H+0
HETATM   76  H   UNK     0       1.520   0.118  -4.858  0.00  0.00           H+0
HETATM   77  H   UNK     0       2.650  -0.558  -6.037  0.00  0.00           H+0
HETATM   78  H   UNK     0       3.287  -2.142  -4.595  0.00  0.00           H+0
HETATM   79  H   UNK     0       4.224  -0.790  -3.877  0.00  0.00           H+0
HETATM   80  H   UNK     0       1.513  -1.743  -2.862  0.00  0.00           H+0
HETATM   81  H   UNK     0       3.221  -3.349  -2.706  0.00  0.00           H+0
HETATM   82  H   UNK     0       4.377  -2.172  -2.098  0.00  0.00           H+0
HETATM   83  H   UNK     0       2.953  -2.625  -1.020  0.00  0.00           H+0
HETATM   84  H   UNK     0       3.556   0.258  -1.753  0.00  0.00           H+0
HETATM   85  H   UNK     0       1.198  -1.191  -0.605  0.00  0.00           H+0
HETATM   86  H   UNK     0       3.779   0.729   2.048  0.00  0.00           H+0
HETATM   87  H   UNK     0       4.665  -2.039   1.479  0.00  0.00           H+0
HETATM   88  H   UNK     0       7.608  -1.237   0.869  0.00  0.00           H+0
HETATM   89  H   UNK     0       5.389  -2.807  -0.040  0.00  0.00           H+0
HETATM   90  H   UNK     0       7.054  -3.376   0.280  0.00  0.00           H+0
HETATM   91  H   UNK     0       6.615  -2.788  -1.360  0.00  0.00           H+0
HETATM   92  H   UNK     0       6.662  -0.398  -1.915  0.00  0.00           H+0
HETATM   93  H   UNK     0       7.300   1.501  -1.289  0.00  0.00           H+0
HETATM   94  H   UNK     0       9.479  -0.650  -0.726  0.00  0.00           H+0
HETATM   95  H   UNK     0       8.891  -2.996  -1.112  0.00  0.00           H+0
HETATM   96  H   UNK     0       8.357  -2.657  -2.801  0.00  0.00           H+0
HETATM   97  H   UNK     0      10.062  -2.354  -2.302  0.00  0.00           H+0
HETATM   98  H   UNK     0      10.229  -0.134  -2.965  0.00  0.00           H+0
HETATM   99  H   UNK     0       9.002   1.074  -2.368  0.00  0.00           H+0
HETATM  100  H   UNK     0       8.521  -0.110  -3.606  0.00  0.00           H+0
HETATM  101  H   UNK     0       3.716  -1.459   3.413  0.00  0.00           H+0
HETATM  102  H   UNK     0       2.015  -3.033   3.068  0.00  0.00           H+0
HETATM  103  H   UNK     0       1.151  -2.055   1.833  0.00  0.00           H+0
HETATM  104  H   UNK     0       2.768  -2.638   1.444  0.00  0.00           H+0
HETATM  105  H   UNK     0      -0.399   0.425   3.034  0.00  0.00           H+0
HETATM  106  H   UNK     0      -2.413  -0.420   3.826  0.00  0.00           H+0
HETATM  107  H   UNK     0      -1.681  -1.062   5.376  0.00  0.00           H+0
HETATM  108  H   UNK     0      -1.854  -2.965   0.607  0.00  0.00           H+0
HETATM  109  H   UNK     0      -2.163  -1.265   1.155  0.00  0.00           H+0
HETATM  110  H   UNK     0      -4.414  -1.790   1.026  0.00  0.00           H+0
HETATM  111  H   UNK     0      -3.600  -5.983   1.416  0.00  0.00           H+0
HETATM  112  H   UNK     0      -2.872  -5.532  -0.949  0.00  0.00           H+0
HETATM  113  H   UNK     0      -4.063  -4.696  -3.120  0.00  0.00           H+0
HETATM  114  H   UNK     0      -6.782  -6.351  -2.041  0.00  0.00           H+0
HETATM  115  H   UNK     0      -5.454  -7.221  -1.299  0.00  0.00           H+0
HETATM  116  H   UNK     0      -6.853  -5.288   0.283  0.00  0.00           H+0
HETATM  117  H   UNK     0      -5.756  -3.233  -0.670  0.00  0.00           H+0
HETATM  118  H   UNK     0      -7.253  -2.972  -2.797  0.00  0.00           H+0
HETATM  119  H   UNK     0      -7.791  -4.195  -1.575  0.00  0.00           H+0
HETATM  120  H   UNK     0      -6.976  -4.685  -3.086  0.00  0.00           H+0
HETATM  121  H   UNK     0      -5.199  -0.296  -2.502  0.00  0.00           H+0
HETATM  122  H   UNK     0      -3.723   1.226  -2.151  0.00  0.00           H+0
HETATM  123  H   UNK     0      -0.629  -2.052  -1.708  0.00  0.00           H+0
HETATM  124  H   UNK     0      -2.132  -3.471  -2.089  0.00  0.00           H+0
HETATM  125  H   UNK     0      -0.259   0.694  -0.592  0.00  0.00           H+0
HETATM  126  H   UNK     0      -0.205   0.881  -3.515  0.00  0.00           H+0
HETATM  127  H   UNK     0      -1.372   4.944   0.775  0.00  0.00           H+0
HETATM  128  H   UNK     0      -0.519   4.786  -0.872  0.00  0.00           H+0
HETATM  129  H   UNK     0       0.106   4.002   0.557  0.00  0.00           H+0
HETATM  130  H   UNK     0      -3.233   1.871   0.196  0.00  0.00           H+0
HETATM  131  H   UNK     0      -4.875   3.554   0.508  0.00  0.00           H+0
HETATM  132  H   UNK     0      -4.251   3.272  -1.131  0.00  0.00           H+0
HETATM  133  H   UNK     0      -2.862   5.063  -2.185  0.00  0.00           H+0
HETATM  134  H   UNK     0      -2.480   7.471  -2.383  0.00  0.00           H+0
HETATM  135  H   UNK     0      -3.161   9.017  -0.614  0.00  0.00           H+0
HETATM  136  H   UNK     0      -4.240   8.112   1.365  0.00  0.00           H+0
HETATM  137  H   UNK     0      -4.664   5.748   1.651  0.00  0.00           H+0
HETATM  138  H   UNK     0      -2.272   1.877   3.591  0.00  0.00           H+0
HETATM  139  H   UNK     0      -0.167   3.779   2.822  0.00  0.00           H+0
HETATM  140  H   UNK     0      -1.995   4.285   5.194  0.00  0.00           H+0
HETATM  141  H   UNK     0      -3.189   5.341   3.459  0.00  0.00           H+0
HETATM  142  H   UNK     0      -1.659   6.153   2.769  0.00  0.00           H+0
HETATM  143  H   UNK     0      -2.308   6.579   4.347  0.00  0.00           H+0
HETATM  144  H   UNK     0       0.007   6.141   4.471  0.00  0.00           H+0
HETATM  145  H   UNK     0      -0.893   1.131   5.900  0.00  0.00           H+0
CONECT    1    2   75   76   77                                             
CONECT    2    1    3   78   79                                             
CONECT    3    2    4    5   80                                             
CONECT    4    3   81   82   83                                             
CONECT    5    3    6   51   84                                             
CONECT    6    5    7   85                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   20   86                                             
CONECT   10    9   11   87                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15   88                                             
CONECT   14   13   89   90   91                                             
CONECT   15   13   16   17   92                                             
CONECT   16   15   93                                                       
CONECT   17   15   18   19   94                                             
CONECT   18   17   95   96   97                                             
CONECT   19   17   98   99  100                                             
CONECT   20    9   21   22  101                                             
CONECT   21   20  102  103  104                                             
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   74  105                                             
CONECT   26   25   27  106  107                                             
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31  108  109                                             
CONECT   31   30   32  110                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35  111                                                  
CONECT   35   34   36  112                                                  
CONECT   36   35   37   38   40                                             
CONECT   37   36  113                                                       
CONECT   38   36   39  114  115                                             
CONECT   39   38  116                                                       
CONECT   40   36   41   42  117                                             
CONECT   41   40  118  119  120                                             
CONECT   42   40   43                                                       
CONECT   43   42   44   48                                                  
CONECT   44   43   45  121                                                  
CONECT   45   44   46  122                                                  
CONECT   46   45   47   49                                                  
CONECT   47   46   48  123                                                  
CONECT   48   47   43  124                                                  
CONECT   49   46   50   53  125                                             
CONECT   50   49   51  126                                                  
CONECT   51   50   52    5                                                  
CONECT   52   51                                                            
CONECT   53   49   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56   57                                                  
CONECT   56   55  127  128  129                                             
CONECT   57   55   58   65  130                                             
CONECT   58   57   59  131  132                                             
CONECT   59   58   60   64                                                  
CONECT   60   59   61  133                                                  
CONECT   61   60   62  134                                                  
CONECT   62   61   63  135                                                  
CONECT   63   62   64  136                                                  
CONECT   64   63   59  137                                                  
CONECT   65   57   66   67                                                  
CONECT   66   65                                                            
CONECT   67   65   68  138                                                  
CONECT   68   67   69   72  139                                             
CONECT   69   68   70   71  140                                             
CONECT   70   69  141  142  143                                             
CONECT   71   69  144                                                       
CONECT   72   68   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72   25  145                                                  
CONECT   75    1                                                            
CONECT   76    1                                                            
CONECT   77    1                                                            
CONECT   78    2                                                            
CONECT   79    2                                                            
CONECT   80    3                                                            
CONECT   81    4                                                            
CONECT   82    4                                                            
CONECT   83    4                                                            
CONECT   84    5                                                            
CONECT   85    6                                                            
CONECT   86    9                                                            
CONECT   87   10                                                            
CONECT   88   13                                                            
CONECT   89   14                                                            
CONECT   90   14                                                            
CONECT   91   14                                                            
CONECT   92   15                                                            
CONECT   93   16                                                            
CONECT   94   17                                                            
CONECT   95   18                                                            
CONECT   96   18                                                            
CONECT   97   18                                                            
CONECT   98   19                                                            
CONECT   99   19                                                            
CONECT  100   19                                                            
CONECT  101   20                                                            
CONECT  102   21                                                            
CONECT  103   21                                                            
CONECT  104   21                                                            
CONECT  105   25                                                            
CONECT  106   26                                                            
CONECT  107   26                                                            
CONECT  108   30                                                            
CONECT  109   30                                                            
CONECT  110   31                                                            
CONECT  111   34                                                            
CONECT  112   35                                                            
CONECT  113   37                                                            
CONECT  114   38                                                            
CONECT  115   38                                                            
CONECT  116   39                                                            
CONECT  117   40                                                            
CONECT  118   41                                                            
CONECT  119   41                                                            
CONECT  120   41                                                            
CONECT  121   44                                                            
CONECT  122   45                                                            
CONECT  123   47                                                            
CONECT  124   48                                                            
CONECT  125   49                                                            
CONECT  126   50                                                            
CONECT  127   56                                                            
CONECT  128   56                                                            
CONECT  129   56                                                            
CONECT  130   57                                                            
CONECT  131   58                                                            
CONECT  132   58                                                            
CONECT  133   60                                                            
CONECT  134   61                                                            
CONECT  135   62                                                            
CONECT  136   63                                                            
CONECT  137   64                                                            
CONECT  138   67                                                            
CONECT  139   68                                                            
CONECT  140   69                                                            
CONECT  141   70                                                            
CONECT  142   70                                                            
CONECT  143   70                                                            
CONECT  144   71                                                            
CONECT  145   74                                                            
MASTER        0    0    0    0    0    0    0    0  145    0  296    0
END
Download

3D PDB for NP0013286 (Salinamide F)

Download
SMILES for NP0013286 (Salinamide F)
[H]OC([H])([H])[C@]1(O[H])\C([H])=C([H])/C(=O)N([H])C([H])([H])C(=O)OC([H])([H])[C@@]2([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(OC2=O)C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C2=C([H])C([H])=C(O[C@@]1([H])C([H])([H])[H])C([H])=C2[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])[H]
Download
INCHI for NP0013286 (Salinamide F)
InChI=1S/C51H71N7O16/c1-10-27(4)39-46(66)57-42-33-16-18-34(19-17-33)74-31(8)51(71,25-59)21-20-37(61)52-23-38(62)72-24-35(50(70)73-30(7)41(48(68)54-39)56-44(64)28(5)43(63)26(2)3)53-47(67)40(29(6)60)55-45(65)36(58(9)49(42)69)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,59-60,63,71H,10,22-25H2,1-9H3,(H,52,61)(H,53,67)(H,54,68)(H,55,65)(H,56,64)(H,57,66)/b21-20-/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1
Download
View in JSmolView NMR Assignments
SynonymsNot Available
Chemical FormulaC51H71N7O16
Average Mass1038.1620 Da
Monoisotopic Mass1037.49573 Da
IUPAC Name(2S,3S)-N-[(1R,7S,8R,9Z,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexaazatricyclo[15.9.8.2^{2,5}]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide
Traditional Name(2S,3S)-N-[(1R,7S,8R,9Z,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-8-hydroxy-32-[(1S)-1-hydroxyethyl]-8-(hydroxymethyl)-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-6,15,19-trioxa-12,23,26,28,31,34-hexaazatricyclo[15.9.8.2^{2,5}]hexatriaconta-2,4,9,35-tetraen-21-yl]-3-hydroxy-2,4-dimethylpentanamide
CAS Registry NumberNot Available
SMILES
CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](C)[C@@H](O)C(C)C)[C@H](C)OC(=O)[C@H]2COC(=O)CNC(=O)\C=C/[C@@](O)(CO)[C@H](C)OC3=CC=C(C=C3)[C@@H](NC1=O)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@H](C)O)C(=O)N2
InChI Identifier
InChI=1S/C51H71N7O16/c1-10-27(4)39-46(66)57-42-33-16-18-34(19-17-33)74-31(8)51(71,25-59)21-20-37(61)52-23-38(62)72-24-35(50(70)73-30(7)41(48(68)54-39)56-44(64)28(5)43(63)26(2)3)53-47(67)40(29(6)60)55-45(65)36(58(9)49(42)69)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,59-60,63,71H,10,22-25H2,1-9H3,(H,52,61)(H,53,67)(H,54,68)(H,55,65)(H,56,64)(H,57,66)/b21-20-/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1
InChI KeyQDRISVFLDJIQNB-CHKOLDIQSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Streptomyces sp.NPAtlas
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP1.43ALOGPS
logP-0.66ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)11.07ChemAxon
pKa (Strongest Basic)-3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area337.66 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity262.59 m³·mol⁻¹ChemAxon
Polarizability106.85 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
NPAtlas IDNPA029038  
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound146684984  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Hassan HM, Degen D, Jang KH, Ebright RH, Fenical W: Salinamide F, new depsipeptide antibiotic and inhibitor of bacterial RNA polymerase from a marine-derived Streptomyces sp. J Antibiot (Tokyo). 2015 Mar;68(3):206-9. doi: 10.1038/ja.2014.122. Epub 2014 Sep 17. [PubMed:25227504  ]