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CHEBI:184845 - 12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid

ChEBI IDCHEBI:184845
ChEBI Name12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H28O5
Net Charge0
Average Mass324.417
Monoisotopic Mass324.19367
SMILESO=C(O)CCCCCCC/C=C\CC(=O)/C=C(O)/C=C\CCO
InChIInChI=1S/C18H28O5/c19-14-10-9-12-17(21)15-16(20)11-7-5-3-1-2-4-6-8-13-18(22)23/h5,7,9,12,15,19,21H,1-4,6,8,10-11,13-14H2,(H,22,23)/b7-5-,12-9-,17-15-
InChIKeyLFTUCYCUYUJMJB-PBBFMNGQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid (CHEBI:184845) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name 
(9Z,13Z,15Z)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
Manual XrefsDatabases
4472339ChemSpider
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