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CHEBI:80027 - Anabaenopeptilide 90B

ChEBI IDCHEBI:80027
ChEBI NameAnabaenopeptilide 90B
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DownloadsMolfile
FormulaC45H61ClN8O14
Net Charge0
Average Mass973.478
Monoisotopic Mass972.39958
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)c(Cl)c2)N(C)C(=O)C(C(C)O)N2C(=O)C(CCC2O)NC(=O)C(CCc2ccc(O)cc2)NC(=O)C(NC(=O)C(CCC(N)=O)NC=O)C(C)OC1=O
InChIInChI=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)
InChIKeyHVJQTJPQRUVUKC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anabaenopeptilide 90B (CHEBI:80027) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15692KEGG COMPOUND