Np mrd loader

Showing NP-Card for GE37468 A (NP0023029)

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Record Information
Version1.0
Created at2021-01-06 08:09:51 UTC
Updated at2021-07-15 17:40:38 UTC
NP-MRD IDNP0023029
Secondary Accession NumbersNone
Natural Product Identification
Common NameGE37468 A
Provided ByNPAtlasNPAtlas Logo
Description GE37468 A is found in Streptomyces sp. ATCC 55365. It was first documented in 1995 (PMID: 8557573). Based on a literature review very few articles have been published on ge37468a.
Structure
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MOL3D MOLSDF3D SDFPDBSMILESInChI

MOL for NP0023029 (GE37468 A)


  Mrv1652307042108133D          

142152  0  0  0  0            999 V2000
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M  END
Download

3D MOL for NP0023029 (GE37468 A)

     RDKit          3D

142152  0  0  0  0  0  0  0  0999 V2000
   16.7817    2.8465   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for NP0023029 (GE37468 A)


  Mrv1652307042108133D          

142152  0  0  0  0            999 V2000
   16.7817    2.8465   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9385    2.9155    0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
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 76137  1  0  0  0  0
 78138  1  0  0  0  0
 86139  1  0  0  0  0
 86140  1  0  0  0  0
 86141  1  0  0  0  0
 90142  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0023029

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C(=C([H])[H])N([H])C(=O)C(=C([H])[H])N([H])C(=O)C1=C([H])SC(=N1)C1=C([H])C([H])=C2C3=NC(=C(O3)C([H])([H])[H])C(=O)N([H])[C@]([H])(C3=NC(=C([H])S3)C(=O)N([H])[C@]([H])(C3=N[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N4[C@@]([H])(O[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]4([H])C4=NC(=C([H])S4)C4=NC(=C([H])S4)C2=N1)C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])S3)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C59H52N14O12S5/c1-25-16-43(76)73-46(25)57-71-41(24-90-57)56-67-37(20-86-56)45-32(14-15-33(63-45)53-68-38(21-87-53)48(78)61-26(2)47(77)62-27(3)59(83)84)52-72-44(28(4)85-52)51(81)65-35(19-42(60)75)55-70-39(22-89-55)49(79)64-34(17-29-8-6-5-7-9-29)54-69-40(23-88-54)50(80)66-36(58(73)82)18-30-10-12-31(74)13-11-30/h5-15,20-22,24-25,34-36,40,43,46,74,76H,2-3,16-19,23H2,1,4H3,(H2,60,75)(H,61,78)(H,62,77)(H,64,79)(H,65,81)(H,66,80)(H,83,84)/t25-,34-,35-,36+,40-,43-,46+/m0/s1

> <INCHI_KEY>
AABZZWPMCAZHFC-UHFFFAOYSA-N

> <FORMULA>
C59H52N14O12S5

> <MOLECULAR_WEIGHT>
1309.45

> <EXACT_MASS>
1308.24926904

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
142

> <JCHEM_AVERAGE_POLARIZABILITY>
133.319676460677

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-({2-[(6R,7S,9S,12R,15R,19S,26S)-19-benzyl-26-(carbamoylmethyl)-9-hydroxy-12-[(4-hydroxyphenyl)methyl]-7,30-dimethyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1^{2,5}.1^{15,18}.1^{22,25}.1^{29,32}.0^{6,10}.0^{33,38}]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]prop-2-enoic acid

> <ALOGPS_LOGP>
4.28

> <JCHEM_LOGP>
4.286663340333332

> <ALOGPS_LOGS>
-4.58

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
11

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.492507964785636

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2890331463827507

> <JCHEM_PKA_STRONGEST_BASIC>
1.1280582106491328

> <JCHEM_POLAR_SURFACE_AREA>
389.4999999999999

> <JCHEM_REFRACTIVITY>
358.934

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.41e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-({2-[(6R,7S,9S,12R,15R,19S,26S)-19-benzyl-26-(carbamoylmethyl)-9-hydroxy-12-[(4-hydroxyphenyl)methyl]-7,30-dimethyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1^{2,5}.1^{15,18}.1^{22,25}.1^{29,32}.0^{6,10}.0^{33,38}]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]prop-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0023029 (GE37468 A)

     RDKit          3D

142152  0  0  0  0  0  0  0  0999 V2000
   16.7817    2.8465   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9385    2.9155    0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5690    2.4851    0.3318 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8978    1.9118   -0.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640    1.7483   -1.8551 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5468    1.4625   -0.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2273    0.9414   -2.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4791    1.4002    0.0727 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2355    1.7605    1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9923    2.2979    2.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8581    1.4765    1.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5218    1.8174    3.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8958    1.2290    3.3300 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7740    0.6027    1.7521 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6416   -0.0821    1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8193   -0.4887   -0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7586   -1.1212   -0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5319   -1.3561   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4135   -0.9301    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4961   -0.2986    1.7139 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2029   -1.0831    2.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2476   -1.5931    3.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -1.4689    3.7505 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9687   -0.7905    2.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0327   -0.6948    1.5616 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070   -0.3526    1.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5582   -0.8481    2.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768   -0.0069    1.6252 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591    0.9200    0.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724    0.5337    0.9502 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0226    1.9492   -0.4876 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7561    2.2215   -1.2128 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4561    2.3922   -0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6587    1.0817   -2.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    0.6003   -2.3692 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5000    0.7085   -3.6924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9112    1.4392   -1.4931 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2990    1.7334   -1.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9773    1.2063   -2.4696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0009    2.6247   -0.6028 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7621    4.0538   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4296    5.0143   -0.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7820    5.5636    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3668    6.4568    1.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6693    6.8467    1.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2752    7.7573    2.3723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3509    6.3222    0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7355    5.4232   -0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4301    2.3782   -0.6034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1848    1.7844    0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1914    2.4833    0.8481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0052    0.5137    1.0863 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4106    0.6050    2.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1662   -1.2212    2.6843 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1034   -1.5454    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1508   -0.3747    0.3879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9916   -2.8034    0.1286 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.8196   -2.8434   -1.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2747   -2.6954   -0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8850   -1.4600   -1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2432   -1.3033   -0.9937 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0493   -2.4003   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4551   -3.6398   -0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0895   -3.8078   -0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1820   -3.9657    0.9762 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -4.3106    2.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0823   -4.6316    3.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243   -4.3220    2.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1826   -4.7075    3.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5845   -4.5123    2.6779 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9471   -3.9572    1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2581   -3.9564    1.0900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1166   -3.5429   -0.0967 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0492   -3.3477   -1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8010   -4.5668   -1.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7031   -4.5150   -2.7031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7037   -5.6560   -0.9964 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1197   -4.5823   -0.3274 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8997   -4.4781   -1.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -5.3942   -2.2215 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8916   -3.4258   -1.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999   -3.0109   -0.4079 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913   -2.0764   -0.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023   -1.8886   -2.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2426   -2.6803   -2.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476   -2.7620   -3.9370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    0.8728    1.2440 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4512    3.4993    1.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6322    3.9009    1.7078 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6173    3.6074    2.6912 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8138    3.2360   -0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5688    2.4537   -1.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0736    2.6334    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2623    0.5667   -2.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9803    0.9383   -2.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5816    0.9443   -0.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036    2.3288    4.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569   -0.3061   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8826   -1.4372   -1.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0992   -1.9752    3.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700   -1.5944    3.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3940    2.8618    0.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435    3.1463   -1.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0541    3.2339   -0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370    1.5175   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073    2.7527    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    1.4504   -3.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168    0.2727   -1.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9749   -0.0481    1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1347    0.9732    3.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251    1.0648    2.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8841   -2.8194   -0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6465   -3.8605   -1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1249   -5.4798    0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819   -2.3669   -4.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560   -2.0838   -3.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -3.8004   -4.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4445    2.8840    3.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
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M  END
Download

PDB for NP0023029 (GE37468 A)

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0      16.782   2.846  -0.646  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.938   2.916   0.337  0.00  0.00           C+0
HETATM    3  N   UNK     0      14.569   2.485   0.332  0.00  0.00           N+0
HETATM    4  C   UNK     0      13.898   1.912  -0.741  0.00  0.00           C+0
HETATM    5  O   UNK     0      14.564   1.748  -1.855  0.00  0.00           O+0
HETATM    6  C   UNK     0      12.547   1.462  -0.799  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.227   0.941  -2.049  0.00  0.00           C+0
HETATM    8  N   UNK     0      11.479   1.400   0.073  0.00  0.00           N+0
HETATM    9  C   UNK     0      11.236   1.761   1.390  0.00  0.00           C+0
HETATM   10  O   UNK     0      11.992   2.298   2.216  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.858   1.476   1.960  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.522   1.817   3.238  0.00  0.00           C+0
HETATM   13  S   UNK     0       7.896   1.229   3.330  0.00  0.00           S+0
HETATM   14  C   UNK     0       7.774   0.603   1.752  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.642  -0.082   1.085  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.819  -0.489  -0.218  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.759  -1.121  -0.817  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.532  -1.356  -0.147  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.414  -0.930   1.142  0.00  0.00           C+0
HETATM   20  N   UNK     0       5.496  -0.299   1.714  0.00  0.00           N+0
HETATM   21  C   UNK     0       3.203  -1.083   2.004  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.248  -1.593   3.289  0.00  0.00           C+0
HETATM   23  S   UNK     0       1.593  -1.469   3.751  0.00  0.00           S+0
HETATM   24  C   UNK     0       0.969  -0.791   2.311  0.00  0.00           C+0
HETATM   25  N   UNK     0       2.033  -0.695   1.562  0.00  0.00           N+0
HETATM   26  C   UNK     0      -0.407  -0.353   1.892  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.558  -0.848   2.473  0.00  0.00           C+0
HETATM   28  S   UNK     0      -2.777  -0.007   1.625  0.00  0.00           S+0
HETATM   29  C   UNK     0      -1.759   0.920   0.589  0.00  0.00           C+0
HETATM   30  N   UNK     0      -0.572   0.534   0.950  0.00  0.00           N+0
HETATM   31  C   UNK     0      -2.023   1.949  -0.488  0.00  0.00           C+0
HETATM   32  C   UNK     0      -0.756   2.221  -1.213  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.456   2.392  -0.356  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.659   1.082  -2.181  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.078   0.600  -2.369  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.500   0.709  -3.692  0.00  0.00           O+0
HETATM   37  N   UNK     0      -2.911   1.439  -1.493  0.00  0.00           N+0
HETATM   38  C   UNK     0      -4.299   1.733  -1.554  0.00  0.00           C+0
HETATM   39  O   UNK     0      -4.977   1.206  -2.470  0.00  0.00           O+0
HETATM   40  C   UNK     0      -5.001   2.625  -0.603  0.00  0.00           C+0
HETATM   41  C   UNK     0      -4.762   4.054  -1.126  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.430   5.014  -0.223  0.00  0.00           C+0
HETATM   43  C   UNK     0      -4.782   5.564   0.877  0.00  0.00           C+0
HETATM   44  C   UNK     0      -5.367   6.457   1.731  0.00  0.00           C+0
HETATM   45  C   UNK     0      -6.669   6.847   1.507  0.00  0.00           C+0
HETATM   46  O   UNK     0      -7.275   7.757   2.372  0.00  0.00           O+0
HETATM   47  C   UNK     0      -7.351   6.322   0.421  0.00  0.00           C+0
HETATM   48  C   UNK     0      -6.736   5.423  -0.424  0.00  0.00           C+0
HETATM   49  N   UNK     0      -6.430   2.378  -0.603  0.00  0.00           N+0
HETATM   50  C   UNK     0      -7.185   1.784   0.428  0.00  0.00           C+0
HETATM   51  O   UNK     0      -8.191   2.483   0.848  0.00  0.00           O+0
HETATM   52  C   UNK     0      -7.005   0.514   1.086  0.00  0.00           C+0
HETATM   53  C   UNK     0      -6.411   0.605   2.506  0.00  0.00           C+0
HETATM   54  S   UNK     0      -6.166  -1.221   2.684  0.00  0.00           S+0
HETATM   55  C   UNK     0      -6.103  -1.545   0.877  0.00  0.00           C+0
HETATM   56  N   UNK     0      -6.151  -0.375   0.388  0.00  0.00           N+0
HETATM   57  C   UNK     0      -5.992  -2.803   0.129  0.00  0.00           C+0
HETATM   58  C   UNK     0      -6.820  -2.843  -1.097  0.00  0.00           C+0
HETATM   59  C   UNK     0      -8.275  -2.695  -0.989  0.00  0.00           C+0
HETATM   60  C   UNK     0      -8.885  -1.460  -1.085  0.00  0.00           C+0
HETATM   61  C   UNK     0     -10.243  -1.303  -0.994  0.00  0.00           C+0
HETATM   62  C   UNK     0     -11.049  -2.400  -0.800  0.00  0.00           C+0
HETATM   63  C   UNK     0     -10.455  -3.640  -0.703  0.00  0.00           C+0
HETATM   64  C   UNK     0      -9.089  -3.808  -0.793  0.00  0.00           C+0
HETATM   65  N   UNK     0      -6.182  -3.966   0.976  0.00  0.00           N+0
HETATM   66  C   UNK     0      -5.414  -4.311   2.100  0.00  0.00           C+0
HETATM   67  O   UNK     0      -6.082  -4.632   3.141  0.00  0.00           O+0
HETATM   68  C   UNK     0      -3.924  -4.322   2.140  0.00  0.00           C+0
HETATM   69  C   UNK     0      -3.183  -4.707   3.243  0.00  0.00           C+0
HETATM   70  S   UNK     0      -1.585  -4.512   2.678  0.00  0.00           S+0
HETATM   71  C   UNK     0      -1.947  -3.957   1.089  0.00  0.00           C+0
HETATM   72  N   UNK     0      -3.258  -3.956   1.090  0.00  0.00           N+0
HETATM   73  C   UNK     0      -1.117  -3.543  -0.097  0.00  0.00           C+0
HETATM   74  C   UNK     0      -2.049  -3.348  -1.258  0.00  0.00           C+0
HETATM   75  C   UNK     0      -2.801  -4.567  -1.604  0.00  0.00           C+0
HETATM   76  N   UNK     0      -3.703  -4.515  -2.703  0.00  0.00           N+0
HETATM   77  O   UNK     0      -2.704  -5.656  -0.996  0.00  0.00           O+0
HETATM   78  N   UNK     0      -0.120  -4.582  -0.327  0.00  0.00           N+0
HETATM   79  C   UNK     0       0.900  -4.478  -1.309  0.00  0.00           C+0
HETATM   80  O   UNK     0       1.000  -5.394  -2.221  0.00  0.00           O+0
HETATM   81  C   UNK     0       1.892  -3.426  -1.427  0.00  0.00           C+0
HETATM   82  N   UNK     0       2.700  -3.011  -0.408  0.00  0.00           N+0
HETATM   83  C   UNK     0       3.491  -2.076  -0.893  0.00  0.00           C+0
HETATM   84  O   UNK     0       3.202  -1.889  -2.186  0.00  0.00           O+0
HETATM   85  C   UNK     0       2.243  -2.680  -2.559  0.00  0.00           C+0
HETATM   86  C   UNK     0       1.648  -2.762  -3.937  0.00  0.00           C+0
HETATM   87  N   UNK     0       8.966   0.873   1.244  0.00  0.00           N+0
HETATM   88  C   UNK     0      16.451   3.499   1.602  0.00  0.00           C+0
HETATM   89  O   UNK     0      17.632   3.901   1.708  0.00  0.00           O+0
HETATM   90  O   UNK     0      15.617   3.607   2.691  0.00  0.00           O+0
HETATM   91  H   UNK     0      17.814   3.236  -0.449  0.00  0.00           H+0
HETATM   92  H   UNK     0      16.569   2.454  -1.610  0.00  0.00           H+0
HETATM   93  H   UNK     0      14.074   2.633   1.226  0.00  0.00           H+0
HETATM   94  H   UNK     0      11.262   0.567  -2.250  0.00  0.00           H+0
HETATM   95  H   UNK     0      12.980   0.938  -2.775  0.00  0.00           H+0
HETATM   96  H   UNK     0      10.582   0.944  -0.405  0.00  0.00           H+0
HETATM   97  H   UNK     0      10.104   2.329   4.025  0.00  0.00           H+0
HETATM   98  H   UNK     0       7.757  -0.306  -0.724  0.00  0.00           H+0
HETATM   99  H   UNK     0       5.883  -1.437  -1.829  0.00  0.00           H+0
HETATM  100  H   UNK     0       4.099  -1.975   3.878  0.00  0.00           H+0
HETATM  101  H   UNK     0      -1.670  -1.594   3.281  0.00  0.00           H+0
HETATM  102  H   UNK     0      -2.394   2.862   0.027  0.00  0.00           H+0
HETATM  103  H   UNK     0      -0.944   3.146  -1.843  0.00  0.00           H+0
HETATM  104  H   UNK     0       1.054   3.234  -0.814  0.00  0.00           H+0
HETATM  105  H   UNK     0       1.137   1.518  -0.353  0.00  0.00           H+0
HETATM  106  H   UNK     0       0.207   2.753   0.663  0.00  0.00           H+0
HETATM  107  H   UNK     0      -0.267   1.450  -3.161  0.00  0.00           H+0
HETATM  108  H   UNK     0       0.017   0.273  -1.863  0.00  0.00           H+0
HETATM  109  H   UNK     0      -2.122  -0.454  -2.087  0.00  0.00           H+0
HETATM  110  H   UNK     0      -2.831   1.611  -3.923  0.00  0.00           H+0
HETATM  111  H   UNK     0      -4.537   2.597   0.400  0.00  0.00           H+0
HETATM  112  H   UNK     0      -5.310   4.072  -2.109  0.00  0.00           H+0
HETATM  113  H   UNK     0      -3.716   4.269  -1.326  0.00  0.00           H+0
HETATM  114  H   UNK     0      -3.761   5.245   1.038  0.00  0.00           H+0
HETATM  115  H   UNK     0      -4.837   6.873   2.587  0.00  0.00           H+0
HETATM  116  H   UNK     0      -7.785   7.490   3.188  0.00  0.00           H+0
HETATM  117  H   UNK     0      -8.364   6.650   0.275  0.00  0.00           H+0
HETATM  118  H   UNK     0      -7.307   5.051  -1.244  0.00  0.00           H+0
HETATM  119  H   UNK     0      -6.963   2.685  -1.481  0.00  0.00           H+0
HETATM  120  H   UNK     0      -7.975  -0.048   1.228  0.00  0.00           H+0
HETATM  121  H   UNK     0      -7.135   0.973   3.229  0.00  0.00           H+0
HETATM  122  H   UNK     0      -5.425   1.065   2.510  0.00  0.00           H+0
HETATM  123  H   UNK     0      -4.884  -2.819  -0.207  0.00  0.00           H+0
HETATM  124  H   UNK     0      -6.646  -3.861  -1.589  0.00  0.00           H+0
HETATM  125  H   UNK     0      -6.399  -2.147  -1.876  0.00  0.00           H+0
HETATM  126  H   UNK     0      -8.241  -0.580  -1.266  0.00  0.00           H+0
HETATM  127  H   UNK     0     -10.660  -0.288  -1.079  0.00  0.00           H+0
HETATM  128  H   UNK     0     -12.114  -2.257  -0.729  0.00  0.00           H+0
HETATM  129  H   UNK     0     -11.083  -4.494  -0.551  0.00  0.00           H+0
HETATM  130  H   UNK     0      -8.660  -4.820  -0.734  0.00  0.00           H+0
HETATM  131  H   UNK     0      -6.976  -4.617   0.731  0.00  0.00           H+0
HETATM  132  H   UNK     0      -3.543  -5.053   4.234  0.00  0.00           H+0
HETATM  133  H   UNK     0      -0.630  -2.593   0.163  0.00  0.00           H+0
HETATM  134  H   UNK     0      -2.722  -2.519  -1.037  0.00  0.00           H+0
HETATM  135  H   UNK     0      -1.404  -3.127  -2.149  0.00  0.00           H+0
HETATM  136  H   UNK     0      -4.708  -4.769  -2.658  0.00  0.00           H+0
HETATM  137  H   UNK     0      -3.330  -4.199  -3.626  0.00  0.00           H+0
HETATM  138  H   UNK     0      -0.125  -5.480   0.240  0.00  0.00           H+0
HETATM  139  H   UNK     0       2.382  -2.367  -4.640  0.00  0.00           H+0
HETATM  140  H   UNK     0       0.756  -2.084  -3.919  0.00  0.00           H+0
HETATM  141  H   UNK     0       1.330  -3.800  -4.109  0.00  0.00           H+0
HETATM  142  H   UNK     0      15.444   2.884   3.374  0.00  0.00           H+0
CONECT    1    2   91   92                                                  
CONECT    2    1    3   88                                                  
CONECT    3    2    4   93                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6   94   95                                                  
CONECT    8    6    9   96                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   87                                                  
CONECT   12   11   13   97                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   87                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   98                                                  
CONECT   17   16   18   99                                                  
CONECT   18   17   19   83                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   15                                                       
CONECT   21   19   22   25                                                  
CONECT   22   21   23  100                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24   21                                                       
CONECT   26   24   27   30                                                  
CONECT   27   26   28  101                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29   26                                                       
CONECT   31   29   32   37  102                                             
CONECT   32   31   33   34  103                                             
CONECT   33   32  104  105  106                                             
CONECT   34   32   35  107  108                                             
CONECT   35   34   36   37  109                                             
CONECT   36   35  110                                                       
CONECT   37   35   38   31                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   49  111                                             
CONECT   41   40   42  112  113                                             
CONECT   42   41   43   48                                                  
CONECT   43   42   44  114                                                  
CONECT   44   43   45  115                                                  
CONECT   45   44   46   47                                                  
CONECT   46   45  116                                                       
CONECT   47   45   48  117                                                  
CONECT   48   47   42  118                                                  
CONECT   49   40   50  119                                                  
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53   56  120                                             
CONECT   53   52   54  121  122                                             
CONECT   54   53   55                                                       
CONECT   55   54   56   57                                                  
CONECT   56   55   52                                                       
CONECT   57   55   58   65  123                                             
CONECT   58   57   59  124  125                                             
CONECT   59   58   60   64                                                  
CONECT   60   59   61  126                                                  
CONECT   61   60   62  127                                                  
CONECT   62   61   63  128                                                  
CONECT   63   62   64  129                                                  
CONECT   64   63   59  130                                                  
CONECT   65   57   66  131                                                  
CONECT   66   65   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66   69   72                                                  
CONECT   69   68   70  132                                                  
CONECT   70   69   71                                                       
CONECT   71   70   72   73                                                  
CONECT   72   71   68                                                       
CONECT   73   71   74   78  133                                             
CONECT   74   73   75  134  135                                             
CONECT   75   74   76   77                                                  
CONECT   76   75  136  137                                                  
CONECT   77   75                                                            
CONECT   78   73   79  138                                                  
CONECT   79   78   80   81                                                  
CONECT   80   79                                                            
CONECT   81   79   82   85                                                  
CONECT   82   81   83                                                       
CONECT   83   82   84   18                                                  
CONECT   84   83   85                                                       
CONECT   85   84   86   81                                                  
CONECT   86   85  139  140  141                                             
CONECT   87   14   11                                                       
CONECT   88    2   89   90                                                  
CONECT   89   88                                                            
CONECT   90   88  142                                                       
CONECT   91    1                                                            
CONECT   92    1                                                            
CONECT   93    3                                                            
CONECT   94    7                                                            
CONECT   95    7                                                            
CONECT   96    8                                                            
CONECT   97   12                                                            
CONECT   98   16                                                            
CONECT   99   17                                                            
CONECT  100   22                                                            
CONECT  101   27                                                            
CONECT  102   31                                                            
CONECT  103   32                                                            
CONECT  104   33                                                            
CONECT  105   33                                                            
CONECT  106   33                                                            
CONECT  107   34                                                            
CONECT  108   34                                                            
CONECT  109   35                                                            
CONECT  110   36                                                            
CONECT  111   40                                                            
CONECT  112   41                                                            
CONECT  113   41                                                            
CONECT  114   43                                                            
CONECT  115   44                                                            
CONECT  116   46                                                            
CONECT  117   47                                                            
CONECT  118   48                                                            
CONECT  119   49                                                            
CONECT  120   52                                                            
CONECT  121   53                                                            
CONECT  122   53                                                            
CONECT  123   57                                                            
CONECT  124   58                                                            
CONECT  125   58                                                            
CONECT  126   60                                                            
CONECT  127   61                                                            
CONECT  128   62                                                            
CONECT  129   63                                                            
CONECT  130   64                                                            
CONECT  131   65                                                            
CONECT  132   69                                                            
CONECT  133   73                                                            
CONECT  134   74                                                            
CONECT  135   74                                                            
CONECT  136   76                                                            
CONECT  137   76                                                            
CONECT  138   78                                                            
CONECT  139   86                                                            
CONECT  140   86                                                            
CONECT  141   86                                                            
CONECT  142   90                                                            
MASTER        0    0    0    0    0    0    0    0  142    0  304    0
END
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3D PDB for NP0023029 (GE37468 A)

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SMILES for NP0023029 (GE37468 A)
[H]OC(=O)C(=C([H])[H])N([H])C(=O)C(=C([H])[H])N([H])C(=O)C1=C([H])SC(=N1)C1=C([H])C([H])=C2C3=NC(=C(O3)C([H])([H])[H])C(=O)N([H])[C@]([H])(C3=NC(=C([H])S3)C(=O)N([H])[C@]([H])(C3=N[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N4[C@@]([H])(O[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]4([H])C4=NC(=C([H])S4)C4=NC(=C([H])S4)C2=N1)C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])S3)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H]
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INCHI for NP0023029 (GE37468 A)
InChI=1S/C59H52N14O12S5/c1-25-16-43(76)73-46(25)57-71-41(24-90-57)56-67-37(20-86-56)45-32(14-15-33(63-45)53-68-38(21-87-53)48(78)61-26(2)47(77)62-27(3)59(83)84)52-72-44(28(4)85-52)51(81)65-35(19-42(60)75)55-70-39(22-89-55)49(79)64-34(17-29-8-6-5-7-9-29)54-69-40(23-88-54)50(80)66-36(58(73)82)18-30-10-12-31(74)13-11-30/h5-15,20-22,24-25,34-36,40,43,46,74,76H,2-3,16-19,23H2,1,4H3,(H2,60,75)(H,61,78)(H,62,77)(H,64,79)(H,65,81)(H,66,80)(H,83,84)/t25-,34-,35-,36+,40-,43-,46+/m0/s1
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View in JSmolView NMR Assignments
Synonyms
ValueSource
2-[(2-{[(2-{19-benzyl-9,14,21,28-tetrahydroxy-26-[(C-hydroxycarbonimidoyl)methyl]-12-[(4-hydroxyphenyl)methyl]-7,30-dimethyl-11-oxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1,.1,.1,.1,.0,.0,]hexatetraconta-1(42),2,5(46),13,18(45),20,22,25(44),27,29,32(43),33(38),34,36,39-pentadecaen-36-yl}-1,3-thiazol-4-yl)(hydroxy)methylidene]amino}-1-hydroxyprop-2-en-1-ylidene)amino]prop-2-enoateGenerator
Chemical FormulaC59H52N14O12S5
Average Mass1309.4500 Da
Monoisotopic Mass1308.24927 Da
IUPAC Name2-[2-({2-[(6R,7S,9S,12R,15R,19S,26S)-19-benzyl-26-(carbamoylmethyl)-9-hydroxy-12-[(4-hydroxyphenyl)methyl]-7,30-dimethyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1^{2,5}.1^{15,18}.1^{22,25}.1^{29,32}.0^{6,10}.0^{33,38}]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]prop-2-enoic acid
Traditional Name2-[2-({2-[(6R,7S,9S,12R,15R,19S,26S)-19-benzyl-26-(carbamoylmethyl)-9-hydroxy-12-[(4-hydroxyphenyl)methyl]-7,30-dimethyl-11,14,21,28-tetraoxo-31-oxa-4,17,24,41-tetrathia-10,13,20,27,37,42,43,44,45,46-decaazaoctacyclo[37.2.1.1^{2,5}.1^{15,18}.1^{22,25}.1^{29,32}.0^{6,10}.0^{33,38}]hexatetraconta-1(42),2,5(46),18(45),22,25(44),29,32(43),33,35,37,39-dodecaen-36-yl]-1,3-thiazol-4-yl}formamido)prop-2-enamido]prop-2-enoic acid
CAS Registry NumberNot Available
SMILES
CC1CC(O)N2C1C1=NC(=CS1)C1=NC(=CS1)C1=C(C=CC(=N1)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(O)=O)C1=NC(=C(C)O1)C(=O)NC(CC(N)=O)C1=NC(=CS1)C(=O)NC(CC1=CC=CC=C1)C1=NC(CS1)C(=O)NC(CC1=CC=C(O)C=C1)C2=O
InChI Identifier
InChI=1S/C59H52N14O12S5/c1-25-16-43(76)73-46(25)57-71-41(24-90-57)56-67-37(20-86-56)45-32(14-15-33(63-45)53-68-38(21-87-53)48(78)61-26(2)47(77)62-27(3)59(83)84)52-72-44(28(4)85-52)51(81)65-35(19-42(60)75)55-70-39(22-89-55)49(79)64-34(17-29-8-6-5-7-9-29)54-69-40(23-88-54)50(80)66-36(58(73)82)18-30-10-12-31(74)13-11-30/h5-15,20-22,24-25,34-36,40,43,46,74,76H,2-3,16-19,23H2,1,4H3,(H2,60,75)(H,61,78)(H,62,77)(H,64,79)(H,65,81)(H,66,80)(H,83,84)
InChI KeyAABZZWPMCAZHFC-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Streptomyces sp. ATCC 55365NPAtlas
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP4.28ALOGPS
logP4.29ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.29ChemAxon
pKa (Strongest Basic)1.13ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area389.5 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity358.93 m³·mol⁻¹ChemAxon
Polarizability133.32 ųChemAxon
Number of Rings11ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
NPAtlas IDNPA001856  
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID17293811  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16137301  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Ferrari P, Colombo L, Stella S, Selva E, Zerilli LF: Antibiotic GE37468 A: a novel inhibitor of bacterial protein synthesis. II. Structure elucidation. J Antibiot (Tokyo). 1995 Nov;48(11):1304-11. doi: 10.7164/antibiotics.48.1304. [PubMed:8557573  ]