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CHEBI:190317 - (9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid

ChEBI IDCHEBI:190317
ChEBI Name(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid
Stars
Last Modified28 March 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCC(O)/C=C/C=C\C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+
InChIKeyILSZLGCGBGSHFR-CGLYFWTESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid (CHEBI:190317) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid (CHEBI:190317) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(9Z,12Z,14E)-16-hydroxyoctadeca-9,12,14-trienoic acid
Manual XrefsDatabases
HMDB0034586HMDB
35013743ChemSpider
Registry NumbersSources
CAS:81325-65-7ChemIDplus