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CHEBI:88461 - 12,13-DiHODE

ChEBI IDCHEBI:88461
ChEBI Name12,13-DiHODE
Stars
Last Modified23 February 2022
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCC/C=C\CC(O)C(O)C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h3,8,10-11,16-17,19-20H,2,4-7,9,12-15H2,1H3,(H,21,22)/b10-3-,11-8-
InChIKeyRGRKFKRAFZJQMS-OOHFSOINSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12,13-DiHODE (CHEBI:88461) is a dihydroxy monocarboxylic acid (CHEBI:35972)
12,13-DiHODE (CHEBI:88461) is a hydroxy fatty acid (CHEBI:24654)
12,13-DiHODE (CHEBI:88461) is a octadecanoid (CHEBI:36326)
12,13-DiHODE (CHEBI:88461) is a polyunsaturated fatty acid (CHEBI:26208)
IUPAC Name 
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoic acid
Synonyms  Source
alpha-12,13-DiHODEHMDB
a-12,13-DiHODEHMDB
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoic acidHMDB
(9Z,15Z)-12,13-dihydroxyoctadeca-9,15-dienoateHMDB
(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoateHMDB
(+/-)-12,13-dihydroxy-9Z,15Z-octadecadienoic acidHMDB
Manual XrefsDatabases
HMDB0010201HMDB
LMFA02000046LIPID MAPS
Citations