CHEBI:226008 - Colletotrichamide D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Colletotrichamide D
ChEBI ID CHEBI:226008
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H58N2O11
Net Charge 0
Average Mass 694.863
Monoisotopic Mass 694.40406
InChI InChI=1S/C36H58N2O11/c1-20(2)16-26-35(46)48-28(21(3)12-10-11-13-22(4)47-36-32(43)31(42)30(41)29(19-39)49-36)18-27(40)23(5)33(44)37-25(34(45)38(26)6)17-24-14-8-7-9-15-24/h7-9,14-15,20-23,25-32,36,39-43H,10-13,16-19H2,1-6H3,(H,37,44)/t21-,22+,23+,25+,26-,27+,28-,29+,30+,31-,32-,36+/m0/s1
InChIKey VDQDKIJMODEVDF-IZIMMZBXSA-N
SMILES O=C1O[C@H]([C@H](CCCC[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C)C)C[C@@H](O)[C@H](C(=O)N[C@@H](C(N([C@H]1CC(C)C)C)=O)CC3=CC=CC=C3)C
Metabolite of Species Details
Colletotrichum (NCBI:txid5455) See: PubMed
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 Colletotrichamide D (CHEBI:226008) is a cyclodepsipeptide (CHEBI:35213)
Colletotrichamide D (CHEBI:226008) is a glycoside (CHEBI:24400)
IUPAC Name
(3S,6R,9R,10R,12S)-6-benzyl-10-hydroxy-4,9-dimethyl-3-(2-methylpropyl)-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