EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199308 - Epi-Fumonisin B3

ChEBI IDCHEBI:199308
ChEBI NameEpi-Fumonisin B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H59NO14
Net Charge0
Average Mass705.839
Monoisotopic Mass705.39356
SMILESCCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26+,27-,32+/m0/s1
InChIKeyCPCRJSQNWHCGOP-JRADOTLWSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (17469843)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
Epi-Fumonisin B3 (CHEBI:199308) is a fumonisin (CHEBI:38224)
IUPAC Name 
(2R)-2-[2-[(5R,6R,7S,9S,11R,18R,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
78436486ChemSpider