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CHEBI:184800 - fumonisin A1

Default Structure
ChEBI IDCHEBI:184800
ChEBI Namefumonisin A1
Stars
ASCII Namefumonisin A1
Last Modified5 February 2026
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H61NO16
Net Charge0
Average Mass763.875
Monoisotopic Mass763.39903
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)CCCC[C@@H](O)C[C@H](O)[C@H](C)NC(C)=O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C36H61NO16/c1-6-7-10-21(3)34(53-33(47)18-25(36(50)51)16-31(44)45)29(52-32(46)17-24(35(48)49)15-30(42)43)14-20(2)13-26(39)11-8-9-12-27(40)19-28(41)22(4)37-23(5)38/h20-22,24-29,34,39-41H,6-19H2,1-5H3,(H,37,38)(H,42,43)(H,44,45)(H,48,49)(H,50,51)/t20-,21+,22-,24+,25+,26+,27+,28-,29-,34+/m0/s1
InChIKeyADACAMXIRQREOB-LOQLDBEDSA-N
Species of MetaboliteComponentSourceComments
Fusarium verticillioides (ncbitaxon:117187) - DOI (10.1039/c39880000743)
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
fumonisin A1 (CHEBI:184800) has functional parent fumonisin B1 (CHEBI:38221)
fumonisin A1 (CHEBI:184800) is a acetamides (CHEBI:22160)
fumonisin A1 (CHEBI:184800) is a diester (CHEBI:51307)
fumonisin A1 (CHEBI:184800) is a fumonisin (CHEBI:38224)
fumonisin A1 (CHEBI:184800) is a triol (CHEBI:27136)
IUPAC Name 
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-acetamido-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
Synonym  Source
N-acetylfumonisin B1ChEBI
Manual XrefsDatabases
24823222ChemSpider
FDB013248FooDB
LMSP01080026LIPID MAPS
Registry NumbersSources
CAS:117415-48-2ChEBI
Citations