CHEBI:80070 - Cyanopeptolin A

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ChEBI Name Cyanopeptolin A ChEBI ID CHEBI:80070 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C46H72N10O12 Net Charge 0 Average Mass 957.12370 Monoisotopic Mass 956.53312 InChI InChI=1S/C46H72N10O12/c1-8-9-11-18-34(57)50-31(24-36(59)60)40(62)54-38-27(6)68-45(67)37(26(4)5)53-41(63)32(23-28-15-12-10-13-16-28)55(7)44(66)33(22-25(2)3)56-35(58)20-19-30(43(56)65)52-39(61)29(51-42(38)64)17-14-21-49-46(47)48/h10,12-13,15-16,25-27,29-33,35,37-38,58H,8-9,11,14,17-24H2,1-7H3,(H,50,57)(H,51,64)(H,52,61)(H,53,63)(H,54,62)(H,59,60)(H4,47,48,49) InChIKey XKZZUWLVOGBTLH-UHFFFAOYSA-N SMILES CCCCCC(=O)NC(CC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(C)C)N2C(O)CCC(NC(=O)C(CCCNC(N)=N)NC1=O)C2=O)C(C)C Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing Cyanopeptolin A (CHEBI:80070) is a cyclodepsipeptide (CHEBI:35213) Manual Xrefs Databases C00016893 KNApSAcK C15742 KEGG COMPOUND View more database links