NP-MRD: Showing NP-Card for Lividomycin A (NP0021527)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2021-01-06 06:49:13 UTC

Updated at

2021-07-15 17:36:35 UTC

NP-MRD ID

NP0021527

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lividomycin A

Provided By

NPAtlas

Description

Lividomycin A is also known as antibiotic 503-2 or lividomicina. Lividomycin A is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Lividomycin A is found in Streptomyces and Streptomyces lividus. Lividomycin A was first documented in 1971 (PMID: 5091208). Based on a literature review a small amount of articles have been published on Lividomycin A (PMID: 1047630) (PMID: 1052072) (PMID: 4142798) (PMID: 4203572).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042108003D          

107111  0  0  0  0            999 V2000
    2.2058    3.4186   -2.7138 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.2605    2.6252   -2.0933 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6871    1.4862   -3.0121 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6856    0.6148   -3.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061   -0.3845   -2.4354 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5035   -0.0478   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.8114   -1.3599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9091   -0.1428   -1.7216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1535   -0.1180   -3.2062 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3551    0.7684   -3.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -1.1133   -1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -1.1358    0.1258 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0575   -2.0540    0.8892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665   -1.4486    1.9361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3162   -1.9530    3.2687 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1611   -1.2744    3.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.8924    4.3440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7877   -2.3998    5.5717 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5196   -2.8050    3.9697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6313   -2.9733    2.4740 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7711   -4.0663    2.0699 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2249   -1.7373    1.7236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0291   -0.6463    2.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966   -0.2313    0.9093 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0860   -0.2105    1.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6718   -0.3274   -0.2078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8725   -1.8265   -0.4319 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4531   -2.0998   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8181    0.2276   -1.3034 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6913    0.7284   -2.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9545    1.3885   -0.8836 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3187    1.1888    0.4840 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9232    2.0925    1.4296 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.0919   -1.4357   -0.0434 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8450   -0.9099    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -0.9732   -1.7488 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8565   -0.4877   -0.4307 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.7882   -0.6817   -2.7114 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3751   -1.0203   -3.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    0.8430   -2.5836 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2140    1.0521   -1.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951    1.5042   -0.9696 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3883    2.7516   -0.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    2.5145    0.9417 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2355    3.7091    1.5289 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8321    3.3541    2.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879    2.1118    1.8639 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6894    1.1799    2.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0940    1.3964    0.9512 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8984    2.3202    0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.5920   -0.0104 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0911   -0.2013   -0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641    3.6934   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    4.3209   -2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    2.2809   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    3.3250   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.0166   -3.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -1.2651   -3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -1.6435   -2.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    0.7669   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    0.0249   -3.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.1579   -3.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    0.8015   -4.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.1171    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817   -0.3413    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -3.0114    3.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -1.8832    3.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050   -0.8586    4.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028   -1.7173    5.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -2.6122    6.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4778   -2.3869    4.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807   -3.7661    4.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -3.3031    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -4.7430    2.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627   -4.5100    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3705   -1.9444    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4420   -0.8619    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6406    0.2044   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8477   -2.2883   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4586   -2.2015    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8832   -2.7313   -2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2357   -0.5718   -1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4869    1.0540   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0965    1.4151   -1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4657    2.3537   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2091    1.3205    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188    2.2104    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    3.0244    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974   -2.5361   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    0.0711    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938   -2.0865   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595   -1.2480    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.1762   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.2364   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -0.4962   -4.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439    1.0758   -3.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334    1.6154   -1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    1.6643    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    4.5580    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    3.9515    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    2.4211    2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    2.9720    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.5669    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955    0.6496    1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8573    2.2097   -0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -0.0418    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5108    0.3584   -1.4958 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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 19 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  1  0  0  0  0
 24 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
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 40  3  1  0  0  0  0
 51 42  1  0  0  0  0
 34  7  1  0  0  0  0
 22 14  1  0  0  0  0
 32 24  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2 55  1  0  0  0  0
  2 56  1  0  0  0  0
  3 57  1  6  0  0  0
  5 58  1  6  0  0  0
  7 59  1  6  0  0  0
  8 60  1  1  0  0  0
  9 61  1  0  0  0  0
  9 62  1  0  0  0  0
 10 63  1  0  0  0  0
 12 64  1  1  0  0  0
 14 65  1  1  0  0  0
 15 66  1  6  0  0  0
 16 67  1  0  0  0  0
 17 68  1  1  0  0  0
 18 69  1  0  0  0  0
 18 70  1  0  0  0  0
 19 71  1  0  0  0  0
 19 72  1  0  0  0  0
 20 73  1  1  0  0  0
 21 74  1  0  0  0  0
 21 75  1  0  0  0  0
 22 76  1  6  0  0  0
 24 77  1  6  0  0  0
 26 78  1  1  0  0  0
 27 79  1  0  0  0  0
 27 80  1  0  0  0  0
 28 81  1  0  0  0  0
 29 82  1  6  0  0  0
 30 83  1  0  0  0  0
 31 84  1  0  0  0  0
 31 85  1  0  0  0  0
 32 86  1  6  0  0  0
 33 87  1  0  0  0  0
 33 88  1  0  0  0  0
 34 89  1  6  0  0  0
 35 90  1  0  0  0  0
 36 91  1  1  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
 38 94  1  1  0  0  0
 39 95  1  0  0  0  0
 40 96  1  6  0  0  0
 42 97  1  6  0  0  0
 44 98  1  6  0  0  0
 45 99  1  0  0  0  0
 45100  1  0  0  0  0
 46101  1  0  0  0  0
 47102  1  1  0  0  0
 48103  1  0  0  0  0
 49104  1  1  0  0  0
 50105  1  0  0  0  0
 51106  1  1  0  0  0
 52107  1  0  0  0  0
M  END

     RDKit          3D

107111  0  0  0  0  0  0  0  0999 V2000
    2.2058    3.4186   -2.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605    2.6252   -2.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871    1.4862   -3.0121 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6856    0.6148   -3.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061   -0.3845   -2.4354 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5035   -0.0478   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.8114   -1.3599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9091   -0.1428   -1.7216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1535   -0.1180   -3.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    0.7684   -3.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -1.1133   -1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -1.1358    0.1258 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0575   -2.0540    0.8892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665   -1.4486    1.9361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3162   -1.9530    3.2687 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1611   -1.2744    3.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.8924    4.3440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7877   -2.3998    5.5717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5196   -2.8050    3.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6313   -2.9733    2.4740 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7711   -4.0663    2.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249   -1.7373    1.7236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0291   -0.6463    2.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966   -0.2313    0.9093 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0860   -0.2105    1.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6718   -0.3274   -0.2078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8725   -1.8265   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4531   -2.0998   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8181    0.2276   -1.3034 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6913    0.7284   -2.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9545    1.3885   -0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3187    1.1888    0.4840 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9232    2.0925    1.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919   -1.4357   -0.0434 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8450   -0.9099    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -0.9732   -1.7488 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8565   -0.4877   -0.4307 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882   -0.6817   -2.7114 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3751   -1.0203   -3.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    0.8430   -2.5836 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2140    1.0521   -1.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951    1.5042   -0.9696 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3883    2.7516   -0.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    2.5145    0.9417 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2355    3.7091    1.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    3.3541    2.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879    2.1118    1.8639 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6894    1.1799    2.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0940    1.3964    0.9512 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8984    2.3202    0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.5920   -0.0104 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0911   -0.2013   -0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641    3.6934   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    4.3209   -2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    2.2809   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    3.3250   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.0166   -3.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -1.2651   -3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -1.6435   -2.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    0.7669   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    0.0249   -3.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.1579   -3.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    0.8015   -4.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.1171    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817   -0.3413    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -3.0114    3.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -1.8832    3.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050   -0.8586    4.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028   -1.7173    5.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -2.6122    6.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4778   -2.3869    4.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807   -3.7661    4.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -3.3031    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -4.7430    2.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627   -4.5100    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3705   -1.9444    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4420   -0.8619    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6406    0.2044   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8477   -2.2883   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4586   -2.2015    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8832   -2.7313   -2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2357   -0.5718   -1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4869    1.0540   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0965    1.4151   -1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4657    2.3537   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2091    1.3205    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188    2.2104    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    3.0244    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974   -2.5361   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    0.0711    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938   -2.0865   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595   -1.2480    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.1762   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.2364   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -0.4962   -4.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439    1.0758   -3.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334    1.6154   -1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    1.6643    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    4.5580    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    3.9515    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    2.4211    2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    2.9720    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.5669    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955    0.6496    1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8573    2.2097   -0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -0.0418    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5108    0.3584   -1.4958 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 12 34  1  0
 34 35  1  0
  5 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 44 47  1  0
 47 48  1  0
 47 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 40  3  1  0
 51 42  1  0
 34  7  1  0
 22 14  1  0
 32 24  1  0
  1 53  1  0
  1 54  1  0
  2 55  1  0
  2 56  1  0
  3 57  1  6
  5 58  1  6
  7 59  1  6
  8 60  1  1
  9 61  1  0
  9 62  1  0
 10 63  1  0
 12 64  1  1
 14 65  1  1
 15 66  1  6
 16 67  1  0
 17 68  1  1
 18 69  1  0
 18 70  1  0
 19 71  1  0
 19 72  1  0
 20 73  1  1
 21 74  1  0
 21 75  1  0
 22 76  1  6
 24 77  1  6
 26 78  1  1
 27 79  1  0
 27 80  1  0
 28 81  1  0
 29 82  1  6
 30 83  1  0
 31 84  1  0
 31 85  1  0
 32 86  1  6
 33 87  1  0
 33 88  1  0
 34 89  1  6
 35 90  1  0
 36 91  1  1
 37 92  1  0
 37 93  1  0
 38 94  1  1
 39 95  1  0
 40 96  1  6
 42 97  1  6
 44 98  1  6
 45 99  1  0
 45100  1  0
 46101  1  0
 47102  1  1
 48103  1  0
 49104  1  1
 50105  1  0
 51106  1  1
 52107  1  0
M  END


  Mrv1652307042108003D          

107111  0  0  0  0            999 V2000
    2.2058    3.4186   -2.7138 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.2605    2.6252   -2.0933 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6871    1.4862   -3.0121 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6856    0.6148   -3.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061   -0.3845   -2.4354 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5035   -0.0478   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.8114   -1.3599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9091   -0.1428   -1.7216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1535   -0.1180   -3.2062 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3551    0.7684   -3.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -1.1133   -1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -1.1358    0.1258 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0575   -2.0540    0.8892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665   -1.4486    1.9361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3162   -1.9530    3.2687 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1611   -1.2744    3.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.8924    4.3440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7877   -2.3998    5.5717 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5196   -2.8050    3.9697 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6313   -2.9733    2.4740 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7711   -4.0663    2.0699 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2249   -1.7373    1.7236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0291   -0.6463    2.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966   -0.2313    0.9093 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0860   -0.2105    1.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6718   -0.3274   -0.2078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8725   -1.8265   -0.4319 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.4531   -2.0998   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8181    0.2276   -1.3034 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6913    0.7284   -2.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9545    1.3885   -0.8836 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3187    1.1888    0.4840 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9232    2.0925    1.4296 N   0  0  1  0  0  0  0  0  0  0  0  0
    0.0919   -1.4357   -0.0434 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8450   -0.9099    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -0.9732   -1.7488 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8565   -0.4877   -0.4307 N   0  0  2  0  0  0  0  0  0  0  0  0
    4.7882   -0.6817   -2.7114 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3751   -1.0203   -3.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    0.8430   -2.5836 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2140    1.0521   -1.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951    1.5042   -0.9696 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3883    2.7516   -0.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    2.5145    0.9417 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2355    3.7091    1.5289 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8321    3.3541    2.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879    2.1118    1.8639 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6894    1.1799    2.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0940    1.3964    0.9512 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8984    2.3202    0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.5920   -0.0104 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0911   -0.2013   -0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641    3.6934   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    4.3209   -2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    2.2809   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    3.3250   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.0166   -3.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -1.2651   -3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -1.6435   -2.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    0.7669   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    0.0249   -3.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.1579   -3.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    0.8015   -4.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.1171    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817   -0.3413    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -3.0114    3.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -1.8832    3.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050   -0.8586    4.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028   -1.7173    5.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -2.6122    6.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4778   -2.3869    4.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807   -3.7661    4.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -3.3031    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -4.7430    2.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627   -4.5100    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3705   -1.9444    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4420   -0.8619    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6406    0.2044   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8477   -2.2883   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4586   -2.2015    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8832   -2.7313   -2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2357   -0.5718   -1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4869    1.0540   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0965    1.4151   -1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4657    2.3537   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2091    1.3205    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188    2.2104    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    3.0244    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974   -2.5361   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    0.0711    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938   -2.0865   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595   -1.2480    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.1762   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.2364   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -0.4962   -4.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439    1.0758   -3.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334    1.6154   -1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    1.6643    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    4.5580    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    3.9515    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    2.4211    2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    2.9720    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.5669    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955    0.6496    1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8573    2.2097   -0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -0.0418    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5108    0.3584   -1.4958 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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 19 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  1  0  0  0  0
 24 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
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 40  3  1  0  0  0  0
 51 42  1  0  0  0  0
 34  7  1  0  0  0  0
 22 14  1  0  0  0  0
 32 24  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  2 55  1  0  0  0  0
  2 56  1  0  0  0  0
  3 57  1  6  0  0  0
  5 58  1  6  0  0  0
  7 59  1  6  0  0  0
  8 60  1  1  0  0  0
  9 61  1  0  0  0  0
  9 62  1  0  0  0  0
 10 63  1  0  0  0  0
 12 64  1  1  0  0  0
 14 65  1  1  0  0  0
 15 66  1  6  0  0  0
 16 67  1  0  0  0  0
 17 68  1  1  0  0  0
 18 69  1  0  0  0  0
 18 70  1  0  0  0  0
 19 71  1  0  0  0  0
 19 72  1  0  0  0  0
 20 73  1  1  0  0  0
 21 74  1  0  0  0  0
 21 75  1  0  0  0  0
 22 76  1  6  0  0  0
 24 77  1  6  0  0  0
 26 78  1  1  0  0  0
 27 79  1  0  0  0  0
 27 80  1  0  0  0  0
 28 81  1  0  0  0  0
 29 82  1  6  0  0  0
 30 83  1  0  0  0  0
 31 84  1  0  0  0  0
 31 85  1  0  0  0  0
 32 86  1  6  0  0  0
 33 87  1  0  0  0  0
 33 88  1  0  0  0  0
 34 89  1  6  0  0  0
 35 90  1  0  0  0  0
 36 91  1  1  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
 38 94  1  1  0  0  0
 39 95  1  0  0  0  0
 40 96  1  6  0  0  0
 42 97  1  6  0  0  0
 44 98  1  6  0  0  0
 45 99  1  0  0  0  0
 45100  1  0  0  0  0
 46101  1  0  0  0  0
 47102  1  1  0  0  0
 48103  1  0  0  0  0
 49104  1  1  0  0  0
 50105  1  0  0  0  0
 51106  1  1  0  0  0
 52107  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0021527

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(N([H])[H])C([H])([H])[C@]([H])(N([H])[H])[C@@]2([H])O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C([H])([H])[C@@]2([H])N([H])[H])[C@]([H])(O[H])[C@]1([H])O[C@@]1([H])O[C@@]([H])(C([H])([H])N([H])[H])[C@@]([H])(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1

> <INCHI_KEY>
DBLVDAUGBTYDFR-SWMBIRFSSA-N

> <FORMULA>
C29H55N5O18

> <MOLECULAR_WEIGHT>
761.7697

> <EXACT_MASS>
761.354209981

> <JCHEM_ACCEPTOR_COUNT>
23

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
74.39347278564168

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5S,6R)-2-{[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-4-hydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.91

> <JCHEM_LOGP>
-9.388836914

> <ALOGPS_LOGS>
-1.06

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
5

> <JCHEM_PKA>
12.609698057575745

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.017412556724576

> <JCHEM_PKA_STRONGEST_BASIC>
9.766996799620323

> <JCHEM_POLAR_SURFACE_AREA>
406.2400000000001

> <JCHEM_REFRACTIVITY>
165.55900000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.61e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lividomycin A

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

107111  0  0  0  0  0  0  0  0999 V2000
    2.2058    3.4186   -2.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605    2.6252   -2.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871    1.4862   -3.0121 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6856    0.6148   -3.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061   -0.3845   -2.4354 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5035   -0.0478   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.8114   -1.3599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9091   -0.1428   -1.7216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1535   -0.1180   -3.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    0.7684   -3.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -1.1133   -1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -1.1358    0.1258 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0575   -2.0540    0.8892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665   -1.4486    1.9361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3162   -1.9530    3.2687 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1611   -1.2744    3.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.8924    4.3440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7877   -2.3998    5.5717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5196   -2.8050    3.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6313   -2.9733    2.4740 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7711   -4.0663    2.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249   -1.7373    1.7236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0291   -0.6463    2.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966   -0.2313    0.9093 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0860   -0.2105    1.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6718   -0.3274   -0.2078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8725   -1.8265   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4531   -2.0998   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8181    0.2276   -1.3034 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6913    0.7284   -2.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9545    1.3885   -0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3187    1.1888    0.4840 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9232    2.0925    1.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919   -1.4357   -0.0434 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8450   -0.9099    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -0.9732   -1.7488 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8565   -0.4877   -0.4307 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882   -0.6817   -2.7114 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3751   -1.0203   -3.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    0.8430   -2.5836 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2140    1.0521   -1.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951    1.5042   -0.9696 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3883    2.7516   -0.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    2.5145    0.9417 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2355    3.7091    1.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    3.3541    2.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879    2.1118    1.8639 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6894    1.1799    2.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0940    1.3964    0.9512 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8984    2.3202    0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.5920   -0.0104 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0911   -0.2013   -0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641    3.6934   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    4.3209   -2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    2.2809   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    3.3250   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.0166   -3.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -1.2651   -3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -1.6435   -2.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    0.7669   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    0.0249   -3.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.1579   -3.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    0.8015   -4.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.1171    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817   -0.3413    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -3.0114    3.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -1.8832    3.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050   -0.8586    4.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028   -1.7173    5.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -2.6122    6.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4778   -2.3869    4.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807   -3.7661    4.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -3.3031    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -4.7430    2.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627   -4.5100    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3705   -1.9444    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4420   -0.8619    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6406    0.2044   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8477   -2.2883   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4586   -2.2015    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8832   -2.7313   -2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2357   -0.5718   -1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4869    1.0540   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0965    1.4151   -1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4657    2.3537   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2091    1.3205    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188    2.2104    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    3.0244    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974   -2.5361   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    0.0711    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938   -2.0865   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595   -1.2480    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.1762   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.2364   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -0.4962   -4.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439    1.0758   -3.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334    1.6154   -1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    1.6643    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    4.5580    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    3.9515    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    2.4211    2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    2.9720    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.5669    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955    0.6496    1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8573    2.2097   -0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -0.0418    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5108    0.3584   -1.4958 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 12 34  1  0
 34 35  1  0
  5 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 44 47  1  0
 47 48  1  0
 47 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 40  3  1  0
 51 42  1  0
 34  7  1  0
 22 14  1  0
 32 24  1  0
  1 53  1  0
  1 54  1  0
  2 55  1  0
  2 56  1  0
  3 57  1  6
  5 58  1  6
  7 59  1  6
  8 60  1  1
  9 61  1  0
  9 62  1  0
 10 63  1  0
 12 64  1  1
 14 65  1  1
 15 66  1  6
 16 67  1  0
 17 68  1  1
 18 69  1  0
 18 70  1  0
 19 71  1  0
 19 72  1  0
 20 73  1  1
 21 74  1  0
 21 75  1  0
 22 76  1  6
 24 77  1  6
 26 78  1  1
 27 79  1  0
 27 80  1  0
 28 81  1  0
 29 82  1  6
 30 83  1  0
 31 84  1  0
 31 85  1  0
 32 86  1  6
 33 87  1  0
 33 88  1  0
 34 89  1  6
 35 90  1  0
 36 91  1  1
 37 92  1  0
 37 93  1  0
 38 94  1  1
 39 95  1  0
 40 96  1  6
 42 97  1  6
 44 98  1  6
 45 99  1  0
 45100  1  0
 46101  1  0
 47102  1  1
 48103  1  0
 49104  1  1
 50105  1  0
 51106  1  1
 52107  1  0
M  END

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  N   UNK     0       2.206   3.419  -2.714  0.00  0.00           N+0
HETATM    2  C   UNK     0       3.260   2.625  -2.093  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.687   1.486  -3.012  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.686   0.615  -3.321  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.406  -0.385  -2.435  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.504  -0.048  -1.455  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.390  -0.811  -1.360  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.909  -0.143  -1.722  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.153  -0.118  -3.206  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.355   0.768  -3.886  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.820  -1.113  -1.222  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.384  -1.136   0.126  0.00  0.00           C+0
HETATM   13  O   UNK     0      -2.058  -2.054   0.889  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.767  -1.449   1.936  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.316  -1.953   3.269  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.161  -1.274   3.702  0.00  0.00           O+0
HETATM   17  C   UNK     0      -3.382  -1.892   4.344  0.00  0.00           C+0
HETATM   18  N   UNK     0      -2.788  -2.400   5.572  0.00  0.00           N+0
HETATM   19  C   UNK     0      -4.520  -2.805   3.970  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.631  -2.973   2.474  0.00  0.00           C+0
HETATM   21  N   UNK     0      -3.771  -4.066   2.070  0.00  0.00           N+0
HETATM   22  C   UNK     0      -4.225  -1.737   1.724  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.029  -0.646   2.030  0.00  0.00           O+0
HETATM   24  C   UNK     0      -5.697  -0.231   0.909  0.00  0.00           C+0
HETATM   25  O   UNK     0      -7.086  -0.211   1.052  0.00  0.00           O+0
HETATM   26  C   UNK     0      -7.672  -0.327  -0.208  0.00  0.00           C+0
HETATM   27  C   UNK     0      -7.872  -1.827  -0.432  0.00  0.00           C+0
HETATM   28  O   UNK     0      -8.453  -2.100  -1.649  0.00  0.00           O+0
HETATM   29  C   UNK     0      -6.818   0.228  -1.303  0.00  0.00           C+0
HETATM   30  O   UNK     0      -7.691   0.728  -2.297  0.00  0.00           O+0
HETATM   31  C   UNK     0      -5.955   1.389  -0.884  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.319   1.189   0.484  0.00  0.00           C+0
HETATM   33  N   UNK     0      -5.923   2.092   1.430  0.00  0.00           N+0
HETATM   34  C   UNK     0       0.092  -1.436  -0.043  0.00  0.00           C+0
HETATM   35  O   UNK     0       0.845  -0.910   1.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.627  -0.973  -1.749  0.00  0.00           C+0
HETATM   37  N   UNK     0       3.857  -0.488  -0.431  0.00  0.00           N+0
HETATM   38  C   UNK     0       4.788  -0.682  -2.711  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.375  -1.020  -3.987  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.976   0.843  -2.584  0.00  0.00           C+0
HETATM   41  O   UNK     0       5.214   1.052  -1.243  0.00  0.00           O+0
HETATM   42  C   UNK     0       6.495   1.504  -0.970  0.00  0.00           C+0
HETATM   43  O   UNK     0       6.388   2.752  -0.368  0.00  0.00           O+0
HETATM   44  C   UNK     0       5.945   2.515   0.942  0.00  0.00           C+0
HETATM   45  C   UNK     0       5.236   3.709   1.529  0.00  0.00           C+0
HETATM   46  O   UNK     0       4.832   3.354   2.823  0.00  0.00           O+0
HETATM   47  C   UNK     0       7.088   2.112   1.864  0.00  0.00           C+0
HETATM   48  O   UNK     0       6.689   1.180   2.817  0.00  0.00           O+0
HETATM   49  C   UNK     0       8.094   1.396   0.951  0.00  0.00           C+0
HETATM   50  O   UNK     0       8.898   2.320   0.301  0.00  0.00           O+0
HETATM   51  C   UNK     0       7.230   0.592  -0.010  0.00  0.00           C+0
HETATM   52  O   UNK     0       8.091  -0.201  -0.775  0.00  0.00           O+0
HETATM   53  H   UNK     0       2.564   3.693  -3.655  0.00  0.00           H+0
HETATM   54  H   UNK     0       2.184   4.321  -2.159  0.00  0.00           H+0
HETATM   55  H   UNK     0       2.861   2.281  -1.133  0.00  0.00           H+0
HETATM   56  H   UNK     0       4.101   3.325  -1.909  0.00  0.00           H+0
HETATM   57  H   UNK     0       3.941   2.017  -3.984  0.00  0.00           H+0
HETATM   58  H   UNK     0       2.037  -1.265  -3.047  0.00  0.00           H+0
HETATM   59  H   UNK     0       0.483  -1.644  -2.121  0.00  0.00           H+0
HETATM   60  H   UNK     0      -1.148   0.767  -1.183  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.205   0.025  -3.470  0.00  0.00           H+0
HETATM   62  H   UNK     0      -0.897  -1.158  -3.564  0.00  0.00           H+0
HETATM   63  H   UNK     0      -0.573   0.802  -4.835  0.00  0.00           H+0
HETATM   64  H   UNK     0      -1.564  -0.117   0.563  0.00  0.00           H+0
HETATM   65  H   UNK     0      -2.582  -0.341   1.845  0.00  0.00           H+0
HETATM   66  H   UNK     0      -2.010  -3.011   3.172  0.00  0.00           H+0
HETATM   67  H   UNK     0      -0.422  -1.883   3.901  0.00  0.00           H+0
HETATM   68  H   UNK     0      -3.705  -0.859   4.579  0.00  0.00           H+0
HETATM   69  H   UNK     0      -2.103  -1.717   5.970  0.00  0.00           H+0
HETATM   70  H   UNK     0      -3.524  -2.612   6.276  0.00  0.00           H+0
HETATM   71  H   UNK     0      -5.478  -2.387   4.375  0.00  0.00           H+0
HETATM   72  H   UNK     0      -4.381  -3.766   4.491  0.00  0.00           H+0
HETATM   73  H   UNK     0      -5.667  -3.303   2.187  0.00  0.00           H+0
HETATM   74  H   UNK     0      -3.642  -4.743   2.840  0.00  0.00           H+0
HETATM   75  H   UNK     0      -4.163  -4.510   1.204  0.00  0.00           H+0
HETATM   76  H   UNK     0      -4.370  -1.944   0.623  0.00  0.00           H+0
HETATM   77  H   UNK     0      -5.442  -0.862   0.032  0.00  0.00           H+0
HETATM   78  H   UNK     0      -8.641   0.204  -0.142  0.00  0.00           H+0
HETATM   79  H   UNK     0      -6.848  -2.288  -0.320  0.00  0.00           H+0
HETATM   80  H   UNK     0      -8.459  -2.201   0.431  0.00  0.00           H+0
HETATM   81  H   UNK     0      -7.883  -2.731  -2.144  0.00  0.00           H+0
HETATM   82  H   UNK     0      -6.236  -0.572  -1.826  0.00  0.00           H+0
HETATM   83  H   UNK     0      -8.487   1.054  -1.835  0.00  0.00           H+0
HETATM   84  H   UNK     0      -5.096   1.415  -1.613  0.00  0.00           H+0
HETATM   85  H   UNK     0      -6.466   2.354  -0.957  0.00  0.00           H+0
HETATM   86  H   UNK     0      -4.209   1.321   0.457  0.00  0.00           H+0
HETATM   87  H   UNK     0      -5.319   2.210   2.278  0.00  0.00           H+0
HETATM   88  H   UNK     0      -6.161   3.024   1.015  0.00  0.00           H+0
HETATM   89  H   UNK     0       0.197  -2.536  -0.004  0.00  0.00           H+0
HETATM   90  H   UNK     0       0.711   0.071   1.007  0.00  0.00           H+0
HETATM   91  H   UNK     0       3.594  -2.087  -1.683  0.00  0.00           H+0
HETATM   92  H   UNK     0       4.059  -1.248   0.261  0.00  0.00           H+0
HETATM   93  H   UNK     0       3.130   0.176  -0.068  0.00  0.00           H+0
HETATM   94  H   UNK     0       5.644  -1.236  -2.329  0.00  0.00           H+0
HETATM   95  H   UNK     0       4.832  -0.496  -4.697  0.00  0.00           H+0
HETATM   96  H   UNK     0       5.844   1.076  -3.231  0.00  0.00           H+0
HETATM   97  H   UNK     0       7.033   1.615  -1.925  0.00  0.00           H+0
HETATM   98  H   UNK     0       5.239   1.664   0.898  0.00  0.00           H+0
HETATM   99  H   UNK     0       5.957   4.558   1.570  0.00  0.00           H+0
HETATM  100  H   UNK     0       4.373   3.951   0.889  0.00  0.00           H+0
HETATM  101  H   UNK     0       4.511   2.421   2.801  0.00  0.00           H+0
HETATM  102  H   UNK     0       7.599   2.972   2.311  0.00  0.00           H+0
HETATM  103  H   UNK     0       5.997   0.567   2.482  0.00  0.00           H+0
HETATM  104  H   UNK     0       8.695   0.650   1.529  0.00  0.00           H+0
HETATM  105  H   UNK     0       8.857   2.210  -0.665  0.00  0.00           H+0
HETATM  106  H   UNK     0       6.579  -0.042   0.595  0.00  0.00           H+0
HETATM  107  H   UNK     0       8.511   0.358  -1.496  0.00  0.00           H+0
CONECT    1    2   53   54                                                  
CONECT    2    1    3   55   56                                             
CONECT    3    2    4   40   57                                             
CONECT    4    3    5                                                       
CONECT    5    4    6   36   58                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   34   59                                             
CONECT    8    7    9   11   60                                             
CONECT    9    8   10   61   62                                             
CONECT   10    9   63                                                       
CONECT   11    8   12                                                       
CONECT   12   11   13   34   64                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   22   65                                             
CONECT   15   14   16   17   66                                             
CONECT   16   15   67                                                       
CONECT   17   15   18   19   68                                             
CONECT   18   17   69   70                                                  
CONECT   19   17   20   71   72                                             
CONECT   20   19   21   22   73                                             
CONECT   21   20   74   75                                                  
CONECT   22   20   23   14   76                                             
CONECT   23   22   24                                                       
CONECT   24   23   25   32   77                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   29   78                                             
CONECT   27   26   28   79   80                                             
CONECT   28   27   81                                                       
CONECT   29   26   30   31   82                                             
CONECT   30   29   83                                                       
CONECT   31   29   32   84   85                                             
CONECT   32   31   33   24   86                                             
CONECT   33   32   87   88                                                  
CONECT   34   12   35    7   89                                             
CONECT   35   34   90                                                       
CONECT   36    5   37   38   91                                             
CONECT   37   36   92   93                                                  
CONECT   38   36   39   40   94                                             
CONECT   39   38   95                                                       
CONECT   40   38   41    3   96                                             
CONECT   41   40   42                                                       
CONECT   42   41   43   51   97                                             
CONECT   43   42   44                                                       
CONECT   44   43   45   47   98                                             
CONECT   45   44   46   99  100                                             
CONECT   46   45  101                                                       
CONECT   47   44   48   49  102                                             
CONECT   48   47  103                                                       
CONECT   49   47   50   51  104                                             
CONECT   50   49  105                                                       
CONECT   51   49   52   42  106                                             
CONECT   52   51  107                                                       
CONECT   53    1                                                            
CONECT   54    1                                                            
CONECT   55    2                                                            
CONECT   56    2                                                            
CONECT   57    3                                                            
CONECT   58    5                                                            
CONECT   59    7                                                            
CONECT   60    8                                                            
CONECT   61    9                                                            
CONECT   62    9                                                            
CONECT   63   10                                                            
CONECT   64   12                                                            
CONECT   65   14                                                            
CONECT   66   15                                                            
CONECT   67   16                                                            
CONECT   68   17                                                            
CONECT   69   18                                                            
CONECT   70   18                                                            
CONECT   71   19                                                            
CONECT   72   19                                                            
CONECT   73   20                                                            
CONECT   74   21                                                            
CONECT   75   21                                                            
CONECT   76   22                                                            
CONECT   77   24                                                            
CONECT   78   26                                                            
CONECT   79   27                                                            
CONECT   80   27                                                            
CONECT   81   28                                                            
CONECT   82   29                                                            
CONECT   83   30                                                            
CONECT   84   31                                                            
CONECT   85   31                                                            
CONECT   86   32                                                            
CONECT   87   33                                                            
CONECT   88   33                                                            
CONECT   89   34                                                            
CONECT   90   35                                                            
CONECT   91   36                                                            
CONECT   92   37                                                            
CONECT   93   37                                                            
CONECT   94   38                                                            
CONECT   95   39                                                            
CONECT   96   40                                                            
CONECT   97   42                                                            
CONECT   98   44                                                            
CONECT   99   45                                                            
CONECT  100   45                                                            
CONECT  101   46                                                            
CONECT  102   47                                                            
CONECT  103   48                                                            
CONECT  104   49                                                            
CONECT  105   50                                                            
CONECT  106   51                                                            
CONECT  107   52                                                            
MASTER        0    0    0    0    0    0    0    0  107    0  222    0
END

RDKit          3D

107111  0  0  0  0  0  0  0  0999 V2000
    2.2058    3.4186   -2.7138 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2605    2.6252   -2.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871    1.4862   -3.0121 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6856    0.6148   -3.3205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4061   -0.3845   -2.4354 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5035   -0.0478   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -0.8114   -1.3599 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9091   -0.1428   -1.7216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1535   -0.1180   -3.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551    0.7684   -3.8861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203   -1.1133   -1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3837   -1.1358    0.1258 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0575   -2.0540    0.8892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665   -1.4486    1.9361 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3162   -1.9530    3.2687 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1611   -1.2744    3.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.8924    4.3440 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7877   -2.3998    5.5717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5196   -2.8050    3.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6313   -2.9733    2.4740 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7711   -4.0663    2.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249   -1.7373    1.7236 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0291   -0.6463    2.0296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6966   -0.2313    0.9093 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0860   -0.2105    1.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6718   -0.3274   -0.2078 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8725   -1.8265   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4531   -2.0998   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8181    0.2276   -1.3034 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6913    0.7284   -2.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9545    1.3885   -0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3187    1.1888    0.4840 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.9232    2.0925    1.4296 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0919   -1.4357   -0.0434 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8450   -0.9099    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270   -0.9732   -1.7488 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8565   -0.4877   -0.4307 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7882   -0.6817   -2.7114 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3751   -1.0203   -3.9869 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    0.8430   -2.5836 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2140    1.0521   -1.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951    1.5042   -0.9696 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3883    2.7516   -0.3675 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9450    2.5145    0.9417 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2355    3.7091    1.5289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    3.3541    2.8232 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879    2.1118    1.8639 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6894    1.1799    2.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0940    1.3964    0.9512 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8984    2.3202    0.3011 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297    0.5920   -0.0104 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0911   -0.2013   -0.7750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641    3.6934   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845    4.3209   -2.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    2.2809   -1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    3.3250   -1.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.0166   -3.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366   -1.2651   -3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826   -1.6435   -2.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    0.7669   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    0.0249   -3.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -1.1579   -3.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5731    0.8015   -4.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5638   -0.1171    0.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817   -0.3413    1.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -3.0114    3.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215   -1.8832    3.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7050   -0.8586    4.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028   -1.7173    5.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5241   -2.6122    6.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4778   -2.3869    4.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807   -3.7661    4.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6666   -3.3031    2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -4.7430    2.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627   -4.5100    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3705   -1.9444    0.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4420   -0.8619    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6406    0.2044   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8477   -2.2883   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4586   -2.2015    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8832   -2.7313   -2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2357   -0.5718   -1.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4869    1.0540   -1.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0965    1.4151   -1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4657    2.3537   -0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2091    1.3205    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3188    2.2104    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1610    3.0244    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974   -2.5361   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    0.0711    1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938   -2.0865   -1.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595   -1.2480    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    0.1762   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.2364   -2.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325   -0.4962   -4.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8439    1.0758   -3.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0334    1.6154   -1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2394    1.6643    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    4.5580    1.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    3.9515    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5108    2.4211    2.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5995    2.9720    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    0.5669    2.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955    0.6496    1.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8573    2.2097   -0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -0.0418    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5108    0.3584   -1.4958 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 12 34  1  0
 34 35  1  0
  5 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 44 47  1  0
 47 48  1  0
 47 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 40  3  1  0
 51 42  1  0
 34  7  1  0
 22 14  1  0
 32 24  1  0
  1 53  1  0
  1 54  1  0
  2 55  1  0
  2 56  1  0
  3 57  1  6
  5 58  1  6
  7 59  1  6
  8 60  1  1
  9 61  1  0
  9 62  1  0
 10 63  1  0
 12 64  1  1
 14 65  1  1
 15 66  1  6
 16 67  1  0
 17 68  1  1
 18 69  1  0
 18 70  1  0
 19 71  1  0
 19 72  1  0
 20 73  1  1
 21 74  1  0
 21 75  1  0
 22 76  1  6
 24 77  1  6
 26 78  1  1
 27 79  1  0
 27 80  1  0
 28 81  1  0
 29 82  1  6
 30 83  1  0
 31 84  1  0
 31 85  1  0
 32 86  1  6
 33 87  1  0
 33 88  1  0
 34 89  1  6
 35 90  1  0
 36 91  1  1
 37 92  1  0
 37 93  1  0
 38 94  1  1
 39 95  1  0
 40 96  1  6
 42 97  1  6
 44 98  1  6
 45 99  1  0
 45100  1  0
 46101  1  0
 47102  1  1
 48103  1  0
 49104  1  1
 50105  1  0
 51106  1  1
 52107  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
Antibiotic 503-2	ChEBI
Antibiotic SF 767 a	ChEBI
Lividomicina	ChEBI
Lividomycin	ChEBI
Lividomycine	ChEBI
Lividomycinum	ChEBI
Mannosyldeoxyparomomycin	ChEBI
O-2-Amino-2,3-dideoxy-alpha-D-ribo-hexopyranosyl-(1-4)-O-(O-alpha-D-mannopyranosyl-(1-4)-O-2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl-(1-3)-beta-D-ribofuranosyl-(1-5))-2-deoxy-D-streptamine	ChEBI
Quintomycin b	ChEBI
SF 767 a	ChEBI
O-2-Amino-2,3-dideoxy-a-D-ribo-hexopyranosyl-(1-4)-O-(O-a-D-mannopyranosyl-(1-4)-O-2,6-diamino-2,6-dideoxy-b-L-idopyranosyl-(1-3)-b-D-ribofuranosyl-(1-5))-2-deoxy-D-streptamine	Generator
O-2-Amino-2,3-dideoxy-α-D-ribo-hexopyranosyl-(1-4)-O-(O-α-D-mannopyranosyl-(1-4)-O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1-3)-β-D-ribofuranosyl-(1-5))-2-deoxy-D-streptamine	Generator

Chemical Formula

C₂₉H₅₅N₅O₁₈

Average Mass

761.7697 Da

Monoisotopic Mass

761.35421 Da

IUPAC Name

(2R,3S,4S,5S,6R)-2-{[(2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2S,3R,5S,6R)-3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-4-hydroxyoxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

lividomycin A

CAS Registry Number

Not Available

SMILES

NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)C[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C29H55N5O18/c30-3-11-23(51-28-20(43)19(42)17(40)13(5-36)47-28)18(41)15(34)27(45-11)50-24-14(6-37)48-29(21(24)44)52-25-16(39)7(31)1-8(32)22(25)49-26-9(33)2-10(38)12(4-35)46-26/h7-29,35-44H,1-6,30-34H2/t7-,8+,9-,10+,11+,12-,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1

InChI Key

DBLVDAUGBTYDFR-SWMBIRFSSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces	NPAtlas	5091208
Streptomyces lividus	LOTUS Database	35616633

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as 4,5-disubstituted 2-deoxystreptamines. These are 2-deoxystreptamine aminoglycosides that a glycosidically linked to a pyranose of furanose unit at the C4- and C5-positions.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

4,5-disubstituted 2-deoxystreptamines

Alternative Parents

Substituents

4,5-disubstituted 2-deoxystreptamine
Disaccharide
Glycosyl compound
O-glycosyl compound
Aminocyclitol or derivatives
Cyclohexanol
Cyclohexylamine
Cyclitol or derivatives
Oxane
Tetrahydrofuran
Cyclic alcohol
Secondary alcohol
1,2-aminoalcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Primary alcohol
Hydrocarbon derivative
Organopnictogen compound
Primary aliphatic amine
Organonitrogen compound
Organic nitrogen compound
Amine
Alcohol
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

lividomycins (CHEBI:71961 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-2.9	ALOGPS
logP	-9.4	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	12.02	ChemAxon
pKa (Strongest Basic)	9.77	ChemAxon
Physiological Charge	5	ChemAxon
Hydrogen Acceptor Count	23	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	406.24 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	165.56 m³·mol⁻¹	ChemAxon
Polarizability	74.39 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA021204

HMDB ID

Not Available

DrugBank ID

DB04728

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

65327

KEGG Compound ID

C17707

BioCyc ID

CPD-14175

BiGG ID

Not Available

Wikipedia Link

Lividomycin

METLIN ID

Not Available

PubChem Compound

72394

PDB ID

Not Available

ChEBI ID

71961

Good Scents ID

Not Available

References

General References

Oda T, Mori T, Ito H, Kunieda T, Munakata K: Studies on new antibiotic lividomycins. I. Taxonomic studies on the lividomycin-producing strain Streptomyces lividus nov. sp. J Antibiot (Tokyo). 1971 Jun;24(6):333-8. [PubMed:5091208 ]
Marmo E, Cazzola M, Brita G, Paciello C: [In-vitro antibacterial activity of an aminoglucoside antibiotic: lividomycin A]. Arch Monaldi. 1975 Jul-Aug;30(4):287-310. [PubMed:1047630 ]
Leroy A, Humbert G, Oksenhendler G, Fillastre JP: Comparative pharmacokinetics of lividomycin, amikacin and sisomicin in normal subjects and in uraemic patients. J Antimicrob Chemother. 1976 Dec;2(4):373-81. doi: 10.1093/jac/2.4.373. [PubMed:1052072 ]
Shimizu T: Studies on lividomycin. I. In vitro antibacterial activities of LVDM against clinical isolates of Mycobacterium tuberculosis. Jpn J Antibiot. 1974 Dec;27(6):766-74. [PubMed:4142798 ]
Kumazawa J, Momose S: Clinical effectiveness of lividomycin on urinary tract infections: evaluation with double-blind method. Curr Ther Res Clin Exp. 1973 Dec;15(12):873-901. [PubMed:4203572 ]

Showing NP-Card for Lividomycin A (NP0021527)

MOL for NP0021527 (Lividomycin A)

3D MOL for NP0021527 (Lividomycin A)

3D SDF for NP0021527 (Lividomycin A)

3D-SDF for NP0021527 (Lividomycin A)

PDB for NP0021527 (Lividomycin A)

3D PDB for NP0021527 (Lividomycin A)

SMILES for NP0021527 (Lividomycin A)

INCHI for NP0021527 (Lividomycin A)

Structure for NP0021527 (Lividomycin A)

3D Structure for NP0021527 (Lividomycin A)