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CHEBI:223980 - Colletopeptide A

ChEBI IDCHEBI:223980
ChEBI NameColletopeptide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48N2O6
Net Charge0
Average Mass532.722
Monoisotopic Mass532.35124
SMILESCC[C@H](C)[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C30H48N2O6/c1-7-19(2)27-30(37)38-26(20(3)13-11-12-14-21(4)33)18-25(34)22(5)28(35)31-24(29(36)32(27)6)17-23-15-9-8-10-16-23/h8-10,15-16,19-22,24-27,33-34H,7,11-14,17-18H2,1-6H3,(H,31,35)/t19-,20-,21+,22+,24+,25+,26-,27-/m0/s1
InChIKeyCBHIZUMFCYMQFI-HDFLJASASA-N
Species of MetaboliteComponentSourceComments
Colletotrichumspecies S8 (ncbitaxon:1552291) - PubMed (31181925)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Colletopeptide A (CHEBI:223980) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9R,10R,12S)-6-benzyl-3-[(2S)-butan-2-yl]-10-hydroxy-12-[(2S,7R)-7-hydroxyoctan-2-yl]-4,9-dimethyl-1-oxa-4,7-diazacyclododecane-2,5,8-trione