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- BIRD-PRD_000227: VIRGINIAMYCIN S1 -

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Open data


ID or keywords:

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_000227
StatusStatus: REF ONLY
NameVIRGINIAMYCIN S1

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BIRD information

TypeCyclic peptide / Antibiotic / Antimicrobial
Details
  • VIRGINIAMYCIN S1 IS A CYLIC HEPTAPEPTIDE. THE RING IS GENERATED BY LINKING RESIDUE 2 SIDE-CHAIN AND RESIDUE 7 MAIN-CHAIN.
DownloadsMolecular definition / Chemical definition
Source
  • Streptomyces virginiae (bacteria), Norine: NOR00679
  • Streptomyces graminofaciens (bacteria), :
  • Streptomyces virginiae (bacteria), :
  • Streptomyces ostreogriseus, :

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Chemical information

Composition
Formula: C43H49N7O10 / Formula weight: 823.89
OthersType: peptide-like
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C3OC(C(C(=O)NC(C(=O)N1CCCC1C(=O)N(C)C(C(=O)N4C(C(=O)NC3c2ccccc2)CC(=O)CC4)Cc5ccccc5)CC)NC(=O)c6ncccc6O)C
CACTVS 3.370CC[CH]1NC(=O)[CH](NC(=O)c2ncccc2O)[CH](C)OC(=O)[CH](NC(=O)[CH]3CC(=O)CCN3C(=O)[CH](Cc4ccccc4)N(C)C(=O)[CH]5CCCN5C1=O)c6ccccc6
OpenEye OEToolkits 1.7.6CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)Cc6ccccc6)C

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SMILES CANONICAL

CACTVS 3.370CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]3CC(=O)CCN3C(=O)[C@H](Cc4ccccc4)N(C)C(=O)[C@@H]5CCCN5C1=O)c6ccccc6
OpenEye OEToolkits 1.7.6CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)Cc6ccccc6)C

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InChI

InChI 1.03InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)

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InChIKey

InChI 1.03FEPMHVLSLDOMQC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(6S,9S,10S,13R,15aS,22S,24aS)-22-benzyl-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl]-3-hydroxypyridine-2-carboxamide #

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PDB entries

Showing all 4 items

PDB-1yit:
Crystal Structure Of Virginiamycin M and S Bound To The 50S Ribosomal Subunit Of Haloarcula Marismortui

PDB-6pc5:
E. coli 50S ribosome bound to compounds 46 and VS1

PDB-6wyv:
E. coli 50S ribosome bound to compounds 47 and VS1

PDB-8e41:
E. coli 50S ribosome bound to tiamulin and VS1

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