CHEBI:80027 - Anabaenopeptilide 90B

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ChEBI Name Anabaenopeptilide 90B ChEBI ID CHEBI:80027 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 C45H61ClN8O14 Net Charge 0 Average Mass 973.46400 Monoisotopic Mass 972.39958 InChI InChI=1S/C45H61ClN8O14/c1-6-22(2)36-45(67)68-24(4)37(52-39(61)29(48-21-55)14-17-34(47)59)42(64)49-30(13-9-25-7-11-27(57)12-8-25)40(62)50-31-15-18-35(60)54(43(31)65)38(23(3)56)44(66)53(5)32(41(63)51-36)20-26-10-16-33(58)28(46)19-26/h7-8,10-12,16,19,21-24,29-32,35-38,56-58,60H,6,9,13-15,17-18,20H2,1-5H3,(H2,47,59)(H,48,55)(H,49,64)(H,50,62)(H,51,63)(H,52,61) InChIKey HVJQTJPQRUVUKC-UHFFFAOYSA-N SMILES CCC(C)C1NC(=O)C(Cc2ccc(O)c(Cl)c2)N(C)C(=O)C(C(C)O)N2C(O)CCC(NC(=O)C(CCc3ccc(O)cc3)NC(=O)C(NC(=O)C(CCC(N)=O)NC=O)C(C)OC1=O)C2=O 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 Anabaenopeptilide 90B (CHEBI:80027) is a cyclodepsipeptide (CHEBI:35213) Manual Xref Database C15692 KEGG COMPOUND View more database links