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CHEBI:220688 - Hexylaconitic acid A

ChEBI IDCHEBI:220688
ChEBI NameHexylaconitic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O5
Net Charge0
Average Mass256.298
Monoisotopic Mass256.13107
SMILESCCCCCC/C(C(=O)O)=C(\CC(=O)O)C(C)=O
InChIInChI=1S/C13H20O5/c1-3-4-5-6-7-10(13(17)18)11(9(2)14)8-12(15)16/h3-8H2,1-2H3,(H,15,16)(H,17,18)/b11-10-
InChIKeyZWHAVCKGZNEQOI-KHPPLWFESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32695080)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Hexylaconitic acid A (CHEBI:220688) is a oxo carboxylic acid (CHEBI:25754)