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CHEBI:187490 - 12Z,15Z-heneicosadienoic acid

ChEBI IDCHEBI:187490
ChEBI Name12Z,15Z-heneicosadienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O2
Net Charge0
Average Mass322.533
Monoisotopic Mass322.28718
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCC(=O)O
InChIInChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h6-7,9-10H,2-5,8,11-20H2,1H3,(H,22,23)/b7-6-,10-9-
InChIKeyTZOLQRQTGDCGPQ-HZJYTTRNSA-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)
12Z,15Z-heneicosadienoic acid (CHEBI:187490) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(12Z,15Z)-henicosa-12,15-dienoic acid
Manual XrefsDatabases
4471973ChemSpider
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