CHEBI:225998 - Colletotrichamide B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B
ChEBI ID CHEBI:225998
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H56N2O11
Net Charge 0
Average Mass 692.847
Monoisotopic Mass 692.38841
InChI InChI=1S/C36H56N2O11/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/h8-12,15-16,20-23,25-32,36,39-43H,7,13-14,17-19H2,1-6H3,(H,37,44)/b12-11+/t20?,21?,22-,23?,25?,26?,27?,28-,29?,30-,31+,32+,36-/m1/s1
InChIKey BXELSXHTVDMWEF-KVBLJALFSA-N
SMILES O=C1OC(C(C/C=C/C[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C)C)CC(O)C(C(=O)NC(C(N(C1C(CC)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 B (CHEBI:225998) is a cyclodepsipeptide (CHEBI:35213)
Colletotrichamide B (CHEBI:225998) is a glycoside (CHEBI:24400)
IUPAC Name
6-benzyl-3-butan-2-yl-10-hydroxy-4,9-dimethyl-12-[(E,7R)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-4-en-2-yl]-1-oxa-4,7-diazacyclododecane-2,5,8-trione