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CHEBI:216873 - Iso-fumonisin B1

ChEBI IDCHEBI:216873
ChEBI NameIso-fumonisin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H59NO15
Net Charge0
Average Mass721.838
Monoisotopic Mass721.38847
SMILESCCCC[C@@H](C)[C@@H](OC(=O)CC(CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCC[C@@H](O)[C@H](O)[C@H](C)N)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t19-,20+,21-,22?,23?,24+,25+,26-,31+,32+/m0/s1
InChIKeyIYHQYIAATKLXJR-PYJIQPHKSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (9548876)
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)
Iso-fumonisin B1 (CHEBI:216873) is a fumonisin (CHEBI:38224)
IUPAC Name 
2-[2-[(5R,6R,7S,9S,11R,17R,18R,19S)-19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
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8970296ChemSpider