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CHEBI:187125 - Chrysobalanic acid

ChEBI IDCHEBI:187125
ChEBI NameChrysobalanic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O3
Net Charge0
Average Mass290.403
Monoisotopic Mass290.18819
SMILESCC/C=C\C=C\C=C\C=C/CCCCC(=O)CCC(=O)O
InChIInChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7+,10-9-
InChIKeyZYOSGENSARGRME-ZSCYQOFPSA-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)
Chrysobalanic acid (CHEBI:187125) is a octadecatetraenoic acid (CHEBI:37810)
IUPAC Name 
(9Z,11E,13E,15Z)-4-oxooctadeca-9,11,13,15-tetraenoic acid
Manual XrefsDatabases
103872871ChemSpider
LMFA02000293LIPID MAPS