CHEBI:209418 - Fusaridioic acid A

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 Fusaridioic acid A
ChEBI ID CHEBI:209418
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O6
Net Charge 0
Average Mass 342.432
Monoisotopic Mass 342.20424
InChI InChI=1S/C18H30O6/c1-12(8-13(2)9-14(3)10-17(21)22)6-4-5-7-16(20)15(11-19)18(23)24/h9-10,12,15-16,19-20H,4-8,11H2,1-3H3,(H,21,22)(H,23,24)/b13-9+,14-10+/t12-,15+,16-/m1/s1
InChIKey QFZISQBFEIXWDM-WKSNGHSCSA-N
SMILES O=C(O)/C=C(/C=C(/C[C@@H](CCCC[C@@H](O)[C@@H](C(=O)O)CO)C)\C)\C
Metabolite of Species Details
Fusarium (NCBI:txid5506) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Fusaridioic acid A (CHEBI:209418) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(2E,4E,7R,12R,13S)-12-hydroxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid
Manual Xref Database
71048631 ChemSpider
View more database links