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CHEBI:225993 - Colletotrichamide A

ChEBI IDCHEBI:225993
ChEBI NameColletotrichamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H58N2O11
Net Charge0
Average Mass694.863
Monoisotopic Mass694.40406
SMILESCC[C@H](C)[C@H]1C(=O)O[C@H]([C@@H](C)CCCC[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[C@@H](O)[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C36H58N2O11/c1-7-20(2)29-35(46)48-27(21(3)13-11-12-14-22(4)47-36-32(43)31(42)30(41)28(19-39)49-36)18-26(40)23(5)33(44)37-25(34(45)38(29)6)17-24-15-9-8-10-16-24/h8-10,15-16,20-23,25-32,36,39-43H,7,11-14,17-19H2,1-6H3,(H,37,44)/t20-,21-,22+,23+,25+,26+,27-,28+,29-,30+,31-,32-,36+/m0/s1
InChIKeyNMRGQXSASQQYOZ-QUTCSXMQSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (31430150)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Colletotrichamide A (CHEBI:225993) is a cyclodepsipeptide (CHEBI:35213)
Colletotrichamide A (CHEBI:225993) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S,6R,9R,10R,12S)-6-benzyl-3-[(2S)-butan-2-yl]-10-hydroxy-4,9-dimethyl-12-[(2S,7R)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctan-2-yl]-1-oxa-4,7-diazacyclododecane-2,5,8-trione