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CHEBI:181079 - 9,12,13-Trihydroxyoctadec-15-enoic acid

ChEBI IDCHEBI:181079
ChEBI Name9,12,13-Trihydroxyoctadec-15-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34O5
Net Charge0
Average Mass330.465
Monoisotopic Mass330.24062
SMILESCCC=CCC(O)C(O)CCC(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,15-17,19-21H,2,4-6,8-14H2,1H3,(H,22,23)
InChIKeyDNWUYCUUEGGVPR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9,12,13-Trihydroxyoctadec-15-enoic acid (CHEBI:181079) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
9,12,13-trihydroxyoctadec-15-enoic acid