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CHEBI:184584 - 12R-HETrE

ChEBI IDCHEBI:184584
ChEBI Name12R-HETrE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O3
Net Charge0
Average Mass322.489
Monoisotopic Mass322.25079
SMILESCCCCC/C=C\C[C@H](O)CC/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-/t19-/m0/s1
InChIKeyRFAKHEWADWLSJX-ZIQRGBBDSA-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)
12R-HETrE (CHEBI:184584) is a hydroxy fatty acid (CHEBI:24654)
12R-HETrE (CHEBI:184584) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(5Z,8Z,12R,14Z)-12-hydroxyicosa-5,8,14-trienoic acid
Manual XrefsDatabases
4446273ChemSpider
LMFA03050012LIPID MAPS
HMDB0062290HMDB
Registry NumbersSources
CAS:117346-20-0ChemIDplus