NP-MRD: Showing NP-Card for Phoslactomycin H (NP0011986)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2021-01-05 21:30:13 UTC

Updated at

2021-07-15 17:10:31 UTC

NP-MRD ID

NP0011986

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Phoslactomycin H

Provided By

NPAtlas

Description

(4S,5S,8R,9R)-15-cyclohexyl-4-(dimethylamino)-5,8,11-trihydroxy-8-methyl-9-(phosphonooxy)pentadeca-2,6,12,14-tetraenoic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Phoslactomycin H is found in Streptomyces. Phoslactomycin H was first documented in 2013 (PMID: 23914940). Based on a literature review very few articles have been published on (4S,5S,8R,9R)-15-cyclohexyl-4-(dimethylamino)-5,8,11-trihydroxy-8-methyl-9-(phosphonooxy)pentadeca-2,6,12,14-tetraenoic acid.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242117003D          

 75 75  0  0  0  0            999 V2000
    3.6495   -3.8557   -2.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -2.9246   -2.3707 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.5383   -3.6038   -3.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -1.7262   -2.9771 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5421   -1.9360   -4.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051   -1.7155   -4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756   -1.9005   -5.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -2.2978   -6.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948   -1.6695   -6.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670   -0.6070   -2.9073 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8716   -0.8306   -3.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.3352   -1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6855   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.9889    0.5747 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6129   -0.2246    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    1.2886    1.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    2.1949    0.6558 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0873    1.9551   -0.1950 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9335    3.0810   -0.1952 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9823    2.7188   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    3.1506    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    2.1885    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303    2.1765    2.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    1.2678    3.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166    0.0757    2.4948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7058    0.0634    2.1915 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2268   -1.3508    2.0872 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1793   -1.9894    3.4760 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8349   -1.7778    4.0946 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8035   -1.1928    3.1937 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9584    2.6026    1.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    4.0649    2.3557 P   0  0  1  0  0  5  0  0  0  0  0  0
    1.8707    4.9947    1.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651    4.8537    3.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273    3.7273    3.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503   -3.5821   -2.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -4.8836   -2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -3.7150   -1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -4.5163   -3.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -2.9649   -4.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -3.9670   -2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199   -1.4336   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838   -2.2779   -5.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -1.3768   -3.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218   -1.2604   -7.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.3369   -3.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.2761   -4.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -0.9464   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    1.3010   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -0.1709    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646   -0.3656    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967   -1.1053    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    2.0284    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765    3.0213    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670    1.0688    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677    1.6771   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951    3.9976   -0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    1.9953   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665    3.9791    1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.3922    0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959    3.0394    3.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    1.4215    4.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961    0.0917    1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632    0.6092    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2437    0.5702    3.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6029   -1.9294    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2724   -1.3143    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9607   -1.4575    4.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4383   -3.0588    3.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9518   -1.1497    5.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642   -2.7854    4.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171   -1.9272    2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -0.9273    3.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    4.2354    4.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    4.4402    3.8424 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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  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
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 17 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 30 25  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4 42  1  1  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 46  1  6  0  0  0
 11 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 54  1  6  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  6  0  0  0
 20 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  6  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 34 74  1  0  0  0  0
 35 75  1  0  0  0  0
M  END

     RDKit          3D

 75 75  0  0  0  0  0  0  0  0999 V2000
    3.6495   -3.8557   -2.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -2.9246   -2.3707 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5383   -3.6038   -3.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -1.7262   -2.9771 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5421   -1.9360   -4.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051   -1.7155   -4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756   -1.9005   -5.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -2.2978   -6.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948   -1.6695   -6.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670   -0.6070   -2.9073 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8716   -0.8306   -3.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.3352   -1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6855   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.9889    0.5747 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6129   -0.2246    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    1.2886    1.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    2.1949    0.6558 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0873    1.9551   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335    3.0810   -0.1952 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9823    2.7188   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    3.1506    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    2.1885    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303    2.1765    2.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    1.2678    3.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166    0.0757    2.4948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7058    0.0634    2.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2268   -1.3508    2.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1793   -1.9894    3.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349   -1.7778    4.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8035   -1.1928    3.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.6026    1.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    4.0649    2.3557 P   0  0  1  0  0  5  0  0  0  0  0  0
    1.8707    4.9947    1.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651    4.8537    3.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273    3.7273    3.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503   -3.5821   -2.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -4.8836   -2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -3.7150   -1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -4.5163   -3.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -2.9649   -4.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -3.9670   -2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199   -1.4336   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838   -2.2779   -5.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -1.3768   -3.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218   -1.2604   -7.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.3369   -3.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.2761   -4.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -0.9464   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    1.3010   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -0.1709    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646   -0.3656    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967   -1.1053    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    2.0284    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765    3.0213    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670    1.0688    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677    1.6771   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951    3.9976   -0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    1.9953   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665    3.9791    1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.3922    0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959    3.0394    3.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    1.4215    4.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961    0.0917    1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632    0.6092    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2437    0.5702    3.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6029   -1.9294    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2724   -1.3143    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9607   -1.4575    4.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4383   -3.0588    3.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9518   -1.1497    5.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642   -2.7854    4.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171   -1.9272    2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -0.9273    3.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    4.2354    4.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    4.4402    3.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  1
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 17 31  1  0
 32 31  1  6
 32 33  2  0
 32 34  1  0
 32 35  1  0
 30 25  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  1
  5 43  1  0
  6 44  1  0
  9 45  1  0
 10 46  1  6
 11 47  1  0
 12 48  1  0
 13 49  1  0
 15 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  6
 18 55  1  0
 18 56  1  0
 19 57  1  6
 20 58  1  0
 21 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  6
 26 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 30 72  1  0
 30 73  1  0
 34 74  1  0
 35 75  1  0
M  END


  Mrv1652306242117003D          

 75 75  0  0  0  0            999 V2000
    3.6495   -3.8557   -2.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -2.9246   -2.3707 N   0  0  2  0  0  0  0  0  0  0  0  0
    1.5383   -3.6038   -3.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -1.7262   -2.9771 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5421   -1.9360   -4.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051   -1.7155   -4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756   -1.9005   -5.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -2.2978   -6.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948   -1.6695   -6.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670   -0.6070   -2.9073 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8716   -0.8306   -3.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.3352   -1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6855   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.9889    0.5747 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6129   -0.2246    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    1.2886    1.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    2.1949    0.6558 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0873    1.9551   -0.1950 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9335    3.0810   -0.1952 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9823    2.7188   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    3.1506    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    2.1885    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303    2.1765    2.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    1.2678    3.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166    0.0757    2.4948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7058    0.0634    2.1915 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2268   -1.3508    2.0872 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1793   -1.9894    3.4760 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8349   -1.7778    4.0946 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8035   -1.1928    3.1937 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9584    2.6026    1.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    4.0649    2.3557 P   0  0  1  0  0  5  0  0  0  0  0  0
    1.8707    4.9947    1.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651    4.8537    3.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273    3.7273    3.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503   -3.5821   -2.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -4.8836   -2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -3.7150   -1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -4.5163   -3.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -2.9649   -4.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -3.9670   -2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199   -1.4336   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838   -2.2779   -5.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -1.3768   -3.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218   -1.2604   -7.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.3369   -3.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.2761   -4.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -0.9464   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    1.3010   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -0.1709    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646   -0.3656    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967   -1.1053    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    2.0284    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765    3.0213    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670    1.0688    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677    1.6771   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951    3.9976   -0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    1.9953   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665    3.9791    1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.3922    0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959    3.0394    3.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    1.4215    4.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961    0.0917    1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632    0.6092    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2437    0.5702    3.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6029   -1.9294    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2724   -1.3143    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9607   -1.4575    4.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4383   -3.0588    3.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9518   -1.1497    5.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642   -2.7854    4.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171   -1.9272    2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -0.9273    3.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    4.2354    4.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    4.4402    3.8424 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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  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
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 17 31  1  0  0  0  0
 32 31  1  6  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 30 25  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4 42  1  1  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 46  1  6  0  0  0
 11 47  1  0  0  0  0
 12 48  1  0  0  0  0
 13 49  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 53  1  0  0  0  0
 17 54  1  6  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  6  0  0  0
 20 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  6  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 34 74  1  0  0  0  0
 35 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0011986

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C(\[H])=C(/[H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])C(\[H])=C(/[H])[C@](O[H])(C([H])([H])[H])[C@]([H])(O[P](=O)(O[H])O[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(\[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C24H40NO9P/c1-24(30,16-15-21(27)20(25(2)3)13-14-23(28)29)22(34-35(31,32)33)17-19(26)12-8-7-11-18-9-5-4-6-10-18/h7-8,11-16,18-22,26-27,30H,4-6,9-10,17H2,1-3H3,(H,28,29)(H2,31,32,33)/b11-7-,12-8+,14-13+,16-15+/t19-,20-,21-,22+,24+/m0/s1

> <INCHI_KEY>
JQMRWKPAJQOQLP-YKQINUBWSA-N

> <FORMULA>
C24H40NO9P

> <MOLECULAR_WEIGHT>
517.556

> <EXACT_MASS>
517.24406887

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
54.01616430160024

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4S,5S,6E,8R,9R,11R,12E,14Z)-15-cyclohexyl-4-(dimethylamino)-5,8,11-trihydroxy-8-methyl-9-(phosphonooxy)pentadeca-2,6,12,14-tetraenoic acid

> <ALOGPS_LOGP>
1.54

> <JCHEM_LOGP>
0.3579485704892305

> <ALOGPS_LOGS>
-4.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.198759424516533

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5327731423191722

> <JCHEM_PKA_STRONGEST_BASIC>
8.902185386320696

> <JCHEM_POLAR_SURFACE_AREA>
167.99

> <JCHEM_REFRACTIVITY>
136.98690000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.00e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4S,5S,6E,8R,9R,11R,12E,14Z)-15-cyclohexyl-4-(dimethylamino)-5,8,11-trihydroxy-8-methyl-9-(phosphonooxy)pentadeca-2,6,12,14-tetraenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 75 75  0  0  0  0  0  0  0  0999 V2000
    3.6495   -3.8557   -2.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -2.9246   -2.3707 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5383   -3.6038   -3.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -1.7262   -2.9771 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5421   -1.9360   -4.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051   -1.7155   -4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756   -1.9005   -5.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -2.2978   -6.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948   -1.6695   -6.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670   -0.6070   -2.9073 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8716   -0.8306   -3.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.3352   -1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6855   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.9889    0.5747 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6129   -0.2246    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    1.2886    1.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    2.1949    0.6558 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0873    1.9551   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335    3.0810   -0.1952 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9823    2.7188   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    3.1506    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    2.1885    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303    2.1765    2.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    1.2678    3.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166    0.0757    2.4948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7058    0.0634    2.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2268   -1.3508    2.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1793   -1.9894    3.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349   -1.7778    4.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8035   -1.1928    3.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.6026    1.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    4.0649    2.3557 P   0  0  1  0  0  5  0  0  0  0  0  0
    1.8707    4.9947    1.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651    4.8537    3.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273    3.7273    3.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503   -3.5821   -2.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -4.8836   -2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -3.7150   -1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -4.5163   -3.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -2.9649   -4.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -3.9670   -2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199   -1.4336   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838   -2.2779   -5.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -1.3768   -3.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218   -1.2604   -7.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.3369   -3.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.2761   -4.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -0.9464   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    1.3010   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -0.1709    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646   -0.3656    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967   -1.1053    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    2.0284    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765    3.0213    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670    1.0688    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677    1.6771   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951    3.9976   -0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    1.9953   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665    3.9791    1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.3922    0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959    3.0394    3.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    1.4215    4.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961    0.0917    1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632    0.6092    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2437    0.5702    3.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6029   -1.9294    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2724   -1.3143    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9607   -1.4575    4.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4383   -3.0588    3.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9518   -1.1497    5.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642   -2.7854    4.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171   -1.9272    2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -0.9273    3.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    4.2354    4.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    4.4402    3.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  1
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 17 31  1  0
 32 31  1  6
 32 33  2  0
 32 34  1  0
 32 35  1  0
 30 25  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  1
  5 43  1  0
  6 44  1  0
  9 45  1  0
 10 46  1  6
 11 47  1  0
 12 48  1  0
 13 49  1  0
 15 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  6
 18 55  1  0
 18 56  1  0
 19 57  1  6
 20 58  1  0
 21 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  6
 26 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 30 72  1  0
 30 73  1  0
 34 74  1  0
 35 75  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       3.650  -3.856  -2.175  0.00  0.00           C+0
HETATM    2  N   UNK     0       2.500  -2.925  -2.371  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.538  -3.604  -3.232  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.033  -1.726  -2.977  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.542  -1.936  -4.337  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.805  -1.716  -4.617  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.376  -1.901  -5.934  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.625  -2.298  -6.866  0.00  0.00           O+0
HETATM    9  O   UNK     0       6.695  -1.670  -6.239  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.067  -0.607  -2.907  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.872  -0.831  -3.540  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.802  -0.335  -1.451  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.426   0.686  -0.852  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.196   0.989   0.575  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.613  -0.225   1.256  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.447   1.289   1.148  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.280   2.195   0.656  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.087   1.955  -0.195  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.934   3.081  -0.195  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.982   2.719  -1.076  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.565   3.151   1.148  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.381   2.188   1.548  0.00  0.00           C+0
HETATM   23  C   UNK     0      -3.030   2.176   2.830  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.843   1.268   3.282  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.217   0.076   2.495  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.706   0.063   2.192  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.227  -1.351   2.087  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.179  -1.989   3.476  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.835  -1.778   4.095  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.804  -1.193   3.194  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.958   2.603   1.912  0.00  0.00           O+0
HETATM   32  P   UNK     0       1.681   4.065   2.356  0.00  0.00           P+0
HETATM   33  O   UNK     0       1.871   4.995   1.183  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.665   4.854   3.458  0.00  0.00           O+0
HETATM   35  O   UNK     0       3.127   3.727   3.160  0.00  0.00           O+0
HETATM   36  H   UNK     0       4.450  -3.582  -2.890  0.00  0.00           H+0
HETATM   37  H   UNK     0       3.336  -4.884  -2.374  0.00  0.00           H+0
HETATM   38  H   UNK     0       4.010  -3.715  -1.134  0.00  0.00           H+0
HETATM   39  H   UNK     0       2.046  -4.516  -3.694  0.00  0.00           H+0
HETATM   40  H   UNK     0       1.110  -2.965  -4.007  0.00  0.00           H+0
HETATM   41  H   UNK     0       0.684  -3.967  -2.585  0.00  0.00           H+0
HETATM   42  H   UNK     0       3.920  -1.434  -2.296  0.00  0.00           H+0
HETATM   43  H   UNK     0       2.884  -2.278  -5.121  0.00  0.00           H+0
HETATM   44  H   UNK     0       5.480  -1.377  -3.831  0.00  0.00           H+0
HETATM   45  H   UNK     0       7.022  -1.260  -7.119  0.00  0.00           H+0
HETATM   46  H   UNK     0       2.501   0.337  -3.358  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.692  -0.276  -4.335  0.00  0.00           H+0
HETATM   48  H   UNK     0       1.121  -0.946  -0.882  0.00  0.00           H+0
HETATM   49  H   UNK     0       3.115   1.301  -1.436  0.00  0.00           H+0
HETATM   50  H   UNK     0       1.698  -0.171   2.362  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.565  -0.366   0.977  0.00  0.00           H+0
HETATM   52  H   UNK     0       2.197  -1.105   0.861  0.00  0.00           H+0
HETATM   53  H   UNK     0       3.808   2.028   0.568  0.00  0.00           H+0
HETATM   54  H   UNK     0       1.877   3.021   0.113  0.00  0.00           H+0
HETATM   55  H   UNK     0      -0.467   1.069   0.188  0.00  0.00           H+0
HETATM   56  H   UNK     0       0.368   1.677  -1.250  0.00  0.00           H+0
HETATM   57  H   UNK     0      -0.495   3.998  -0.539  0.00  0.00           H+0
HETATM   58  H   UNK     0      -1.647   1.995  -1.662  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.367   3.979   1.781  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.525   1.392   0.802  0.00  0.00           H+0
HETATM   61  H   UNK     0      -2.796   3.039   3.480  0.00  0.00           H+0
HETATM   62  H   UNK     0      -4.252   1.422   4.293  0.00  0.00           H+0
HETATM   63  H   UNK     0      -3.696   0.092   1.527  0.00  0.00           H+0
HETATM   64  H   UNK     0      -5.963   0.609   1.266  0.00  0.00           H+0
HETATM   65  H   UNK     0      -6.244   0.570   3.024  0.00  0.00           H+0
HETATM   66  H   UNK     0      -5.603  -1.929   1.373  0.00  0.00           H+0
HETATM   67  H   UNK     0      -7.272  -1.314   1.746  0.00  0.00           H+0
HETATM   68  H   UNK     0      -6.961  -1.458   4.077  0.00  0.00           H+0
HETATM   69  H   UNK     0      -6.438  -3.059   3.372  0.00  0.00           H+0
HETATM   70  H   UNK     0      -4.952  -1.150   5.011  0.00  0.00           H+0
HETATM   71  H   UNK     0      -4.464  -2.785   4.430  0.00  0.00           H+0
HETATM   72  H   UNK     0      -3.417  -1.927   2.449  0.00  0.00           H+0
HETATM   73  H   UNK     0      -2.931  -0.927   3.833  0.00  0.00           H+0
HETATM   74  H   UNK     0       0.193   4.235   4.049  0.00  0.00           H+0
HETATM   75  H   UNK     0       3.263   4.440   3.842  0.00  0.00           H+0
CONECT    1    2   36   37   38                                             
CONECT    2    1    3    4                                                  
CONECT    3    2   39   40   41                                             
CONECT    4    2    5   10   42                                             
CONECT    5    4    6   43                                                  
CONECT    6    5    7   44                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   45                                                       
CONECT   10    4   11   12   46                                             
CONECT   11   10   47                                                       
CONECT   12   10   13   48                                                  
CONECT   13   12   14   49                                                  
CONECT   14   13   15   16   17                                             
CONECT   15   14   50   51   52                                             
CONECT   16   14   53                                                       
CONECT   17   14   18   31   54                                             
CONECT   18   17   19   55   56                                             
CONECT   19   18   20   21   57                                             
CONECT   20   19   58                                                       
CONECT   21   19   22   59                                                  
CONECT   22   21   23   60                                                  
CONECT   23   22   24   61                                                  
CONECT   24   23   25   62                                                  
CONECT   25   24   26   30   63                                             
CONECT   26   25   27   64   65                                             
CONECT   27   26   28   66   67                                             
CONECT   28   27   29   68   69                                             
CONECT   29   28   30   70   71                                             
CONECT   30   29   25   72   73                                             
CONECT   31   17   32                                                       
CONECT   32   31   33   34   35                                             
CONECT   33   32                                                            
CONECT   34   32   74                                                       
CONECT   35   32   75                                                       
CONECT   36    1                                                            
CONECT   37    1                                                            
CONECT   38    1                                                            
CONECT   39    3                                                            
CONECT   40    3                                                            
CONECT   41    3                                                            
CONECT   42    4                                                            
CONECT   43    5                                                            
CONECT   44    6                                                            
CONECT   45    9                                                            
CONECT   46   10                                                            
CONECT   47   11                                                            
CONECT   48   12                                                            
CONECT   49   13                                                            
CONECT   50   15                                                            
CONECT   51   15                                                            
CONECT   52   15                                                            
CONECT   53   16                                                            
CONECT   54   17                                                            
CONECT   55   18                                                            
CONECT   56   18                                                            
CONECT   57   19                                                            
CONECT   58   20                                                            
CONECT   59   21                                                            
CONECT   60   22                                                            
CONECT   61   23                                                            
CONECT   62   24                                                            
CONECT   63   25                                                            
CONECT   64   26                                                            
CONECT   65   26                                                            
CONECT   66   27                                                            
CONECT   67   27                                                            
CONECT   68   28                                                            
CONECT   69   28                                                            
CONECT   70   29                                                            
CONECT   71   29                                                            
CONECT   72   30                                                            
CONECT   73   30                                                            
CONECT   74   34                                                            
CONECT   75   35                                                            
MASTER        0    0    0    0    0    0    0    0   75    0  150    0
END

RDKit          3D

75 75  0  0  0  0  0  0  0  0999 V2000
    3.6495   -3.8557   -2.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -2.9246   -2.3707 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5383   -3.6038   -3.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -1.7262   -2.9771 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5421   -1.9360   -4.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8051   -1.7155   -4.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3756   -1.9005   -5.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6248   -2.2978   -6.8664 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948   -1.6695   -6.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0670   -0.6070   -2.9073 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8716   -0.8306   -3.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.3352   -1.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6855   -0.8524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963    0.9889    0.5747 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6129   -0.2246    1.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    1.2886    1.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795    2.1949    0.6558 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0873    1.9551   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335    3.0810   -0.1952 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9823    2.7188   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5650    3.1506    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812    2.1885    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303    2.1765    2.8302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426    1.2678    3.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2166    0.0757    2.4948 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7058    0.0634    2.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2268   -1.3508    2.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1793   -1.9894    3.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8349   -1.7778    4.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8035   -1.1928    3.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.6026    1.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    4.0649    2.3557 P   0  0  1  0  0  5  0  0  0  0  0  0
    1.8707    4.9947    1.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651    4.8537    3.4579 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1273    3.7273    3.1601 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503   -3.5821   -2.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -4.8836   -2.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -3.7150   -1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -4.5163   -3.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101   -2.9649   -4.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6835   -3.9670   -2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199   -1.4336   -2.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8838   -2.2779   -5.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804   -1.3768   -3.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218   -1.2604   -7.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.3369   -3.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.2761   -4.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209   -0.9464   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    1.3010   -1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -0.1709    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646   -0.3656    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1967   -1.1053    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    2.0284    0.5684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765    3.0213    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4670    1.0688    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677    1.6771   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4951    3.9976   -0.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6471    1.9953   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665    3.9791    1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    1.3922    0.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959    3.0394    3.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2519    1.4215    4.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961    0.0917    1.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632    0.6092    1.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2437    0.5702    3.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6029   -1.9294    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2724   -1.3143    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9607   -1.4575    4.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4383   -3.0588    3.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9518   -1.1497    5.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642   -2.7854    4.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4171   -1.9272    2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -0.9273    3.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931    4.2354    4.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    4.4402    3.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  4 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  1
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 17 31  1  0
 32 31  1  6
 32 33  2  0
 32 34  1  0
 32 35  1  0
 30 25  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  1
  5 43  1  0
  6 44  1  0
  9 45  1  0
 10 46  1  6
 11 47  1  0
 12 48  1  0
 13 49  1  0
 15 50  1  0
 15 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  6
 18 55  1  0
 18 56  1  0
 19 57  1  6
 20 58  1  0
 21 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  6
 26 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 30 72  1  0
 30 73  1  0
 34 74  1  0
 35 75  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
(4S,5S,8R,9R)-15-Cyclohexyl-4-(dimethylamino)-5,8,11-trihydroxy-8-methyl-9-(phosphonooxy)pentadeca-2,6,12,14-tetraenoate	Generator

Chemical Formula

C₂₄H₄₀NO₉P

Average Mass

517.5560 Da

Monoisotopic Mass

517.24407 Da

IUPAC Name

(2E,4S,5S,6E,8R,9R,11R,12E,14Z)-15-cyclohexyl-4-(dimethylamino)-5,8,11-trihydroxy-8-methyl-9-(phosphonooxy)pentadeca-2,6,12,14-tetraenoic acid

Traditional Name

(2E,4S,5S,6E,8R,9R,11R,12E,14Z)-15-cyclohexyl-4-(dimethylamino)-5,8,11-trihydroxy-8-methyl-9-(phosphonooxy)pentadeca-2,6,12,14-tetraenoic acid

CAS Registry Number

Not Available

SMILES

CN(C)[C@@H](C=CC(O)=O)[C@@H](O)C=C[C@@](C)(O)[C@@H](CC(O)C=CC=CC1CCCCC1)OP(O)(O)=O

InChI Identifier

InChI=1S/C24H40NO9P/c1-24(30,16-15-21(27)20(25(2)3)13-14-23(28)29)22(34-35(31,32)33)17-19(26)12-8-7-11-18-9-5-4-6-10-18/h7-8,11-16,18-22,26-27,30H,4-6,9-10,17H2,1-3H3,(H,28,29)(H2,31,32,33)/t19?,20-,21-,22+,24+/m0/s1

InChI Key

JQMRWKPAJQOQLP-YKQINUBWSA-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	23914940

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Amino fatty acid
Hydroxy fatty acid
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Unsaturated fatty acid
Alkyl phosphate
Tertiary alcohol
Amino acid
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Amino acid or derivatives
Polyol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Organopnictogen compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Alcohol
Organonitrogen compound
Organooxygen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

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	1.54	ALOGPS
logP	0.36	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	1.53	ChemAxon
pKa (Strongest Basic)	8.9	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	167.99 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	136.99 m³·mol⁻¹	ChemAxon
Polarizability	54.02 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA009296

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139585673

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Fotso S, Graupner P, Xiong Q, Hahn D, Avila-Adame C, Davis G: Phoslactomycins from Streptomyces sp. MLA1839 and their biological activities. J Nat Prod. 2013 Aug 23;76(8):1509-13. doi: 10.1021/np400232j. Epub 2013 Aug 5. [PubMed:23914940 ]

Showing NP-Card for Phoslactomycin H (NP0011986)

MOL for NP0011986 (Phoslactomycin H)

3D MOL for NP0011986 (Phoslactomycin H)

3D SDF for NP0011986 (Phoslactomycin H)

3D-SDF for NP0011986 (Phoslactomycin H)

PDB for NP0011986 (Phoslactomycin H)

3D PDB for NP0011986 (Phoslactomycin H)

SMILES for NP0011986 (Phoslactomycin H)

INCHI for NP0011986 (Phoslactomycin H)

Structure for NP0011986 (Phoslactomycin H)

3D Structure for NP0011986 (Phoslactomycin H)