EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165769 - 12R-HODE

ChEBI IDCHEBI:165769
ChEBI Name12R-HODE
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCC/C=C\CC[C@@H](O)C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,12,17,19H,2,5-8,10-11,13-16H2,1H3,(H,20,21)/b4-3-,12-9-/t17-/m1/s1
InChIKeyOKIDIWHWTIMACU-MNEPGTOVSA-N
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-HODE (CHEBI:165769) is a hydroxy fatty acid (CHEBI:24654)
12R-HODE (CHEBI:165769) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(9Z,12R,15Z)-12-hydroxyoctadeca-9,15-dienoic acid
Manual XrefsDatabases
4472256ChemSpider
LMFA02000189LIPID MAPS
LMFA01050112LIPID MAPS
Registry NumbersSources
CAS:7121-47-3ChemIDplus