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CHEBI:201675 - Phomallenic acid A

ChEBI IDCHEBI:201675
ChEBI NamePhomallenic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESCCC(O)C#CC#CC=C=CCCCCC(=O)O
InChIInChI=1S/C15H18O3/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)18/h4-5,14,16H,2,7,9,11,13H2,1H3,(H,17,18)
InChIKeyYZCDHRPWTDTXRF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (16562839)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Phomallenic acid A (CHEBI:201675) is a long-chain fatty acid (CHEBI:15904)
Manual XrefsDatabases
9855082ChemSpider