[Met6] Nodulapeptin C

group of stereoisomers with the chemical formula C₄₄H₆₅N₇O₉S₂

Wikidata entity: Q105280187

C₄₄H₆₅N₇O₉S₂ (P274)

Quantities

P2067mass899.42851866

P233 canonical SMILES String CCC(C)C(NC(=O)NC1CCCCNC(=O)C(CCSC)NC(=O)C(CCc2ccc(O)cc2)N(C)C(=O)C(CCc2ccccc2)NC(=O)C(CCSC)NC1=O)C(=O)O ???
P703 found in taxon ... Q30752967 (Nodularia spumigena) Nodularia spumigena
P703 found in taxon ... Q133353 (Anabaena) Anabaena
P703 found in taxon ... Q15946660 (Romanoa) Romanoa
P31 instance of ... Q59199015 (group of stereoisomers) group of stereoisomers
P279 subclass of ... Q109559114 (biogenic cyclopeptide) biogenic cyclopeptide
External Ids
P683ChEBI ID221481
P3117DSSTox substance IDDTXSID201334781
P234InChIInChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
P235InChIKeyUVYPXLQJIYVPPA-UHFFFAOYSA-N
P7746Natural Product Atlas IDNPA028800
P662PubChem CID146684826
P11089UniChem compound ID178088180

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