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CHEBI:80026 - Anabaenopeptilide 90A

ChEBI IDCHEBI:80026
ChEBI NameAnabaenopeptilide 90A
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DownloadsMolfile
FormulaC46H64N8O14
Net Charge0
Average Mass953.060
Monoisotopic Mass952.45420
SMILESCCC(C)C1NC(=O)C(Cc2ccc(OC)cc2)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/C46H64N8O14/c1-7-24(2)37-46(66)68-26(4)38(52-40(60)31(48-23-55)18-20-35(47)58)43(63)49-32(17-12-27-8-13-29(57)14-9-27)41(61)50-33-19-21-36(59)54(44(33)64)39(25(3)56)45(65)53(5)34(42(62)51-37)22-28-10-15-30(67-6)16-11-28/h8-11,13-16,23-26,31-34,36-39,56-57,59H,7,12,17-22H2,1-6H3,(H2,47,58)(H,48,55)(H,49,63)(H,50,61)(H,51,62)(H,52,60)
InChIKeyOWICVIMBSMKDHR-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 90A (CHEBI:80026) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15691KEGG COMPOUND