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CHEBI:190309 - 9S-hydroxy-10E,12E-octadecadienoic acid

ChEBI IDCHEBI:190309
ChEBI Name9S-hydroxy-10E,12E-octadecadienoic acid
Stars
Last Modified28 March 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCCCCC/C=C/C=C/[C@@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+/t17-/m1/s1
InChIKeyNPDSHTNEKLQQIJ-RUDINFOGSA-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)
9S-hydroxy-10E,12E-octadecadienoic acid (CHEBI:190309) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
9S-hydroxy-10E,12E-octadecadienoic acid (CHEBI:190309) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(9S,10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid
Manual XrefsDatabases
4472254ChemSpider
LMFA01050277LIPID MAPS
Registry NumbersSources
CAS:18104-44-4ChemIDplus