EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226015 - Colletotrichamide E

ChEBI IDCHEBI:226015
ChEBI NameColletotrichamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56N2O11
Net Charge0
Average Mass680.836
Monoisotopic Mass680.38841
SMILESCC(CCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C1CC(O)C(C)C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](C(C)C)C(=O)O1
InChIInChI=1S/C35H56N2O11/c1-19(2)28-34(45)47-26(20(3)12-10-11-13-21(4)46-35-31(42)30(41)29(40)27(18-38)48-35)17-25(39)22(5)32(43)36-24(33(44)37(28)6)16-23-14-8-7-9-15-23/h7-9,14-15,19-22,24-31,35,38-42H,10-13,16-18H2,1-6H3,(H,36,43)/t20?,21-,22?,24-,25?,26?,27-,28+,29-,30+,31+,35-/m1/s1
InChIKeyOJTSDBULMFWURT-LHXGCECFSA-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 E (CHEBI:226015) is a cyclodepsipeptide (CHEBI:35213)
Colletotrichamide E (CHEBI:226015) is a glycoside (CHEBI:24400)
IUPAC Name 
(3S,6R)-6-benzyl-10-hydroxy-4,9-dimethyl-3-propan-2-yl-12-[(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