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CHEBI:84447 - (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid

ChEBI IDCHEBI:84447
ChEBI Name(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid
Stars
ASCII Name(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid
DefinitionThe (5Z,8Z,10E,14Z)-stereoisomer of 12-HETE.
Last Modified22 May 2017
Submitternamrata
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCCCCC/C=C\CC(O)/C=C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
InChIKeyZNHVWPKMFKADKW-VXBMJZGYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447) has role mouse metabolite (CHEBI:75771)
(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447) is a 12-HETE (CHEBI:19138)
(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447) is conjugate acid of 12-HETE(1−) (CHEBI:90718)
Incoming Relation(s)
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine (CHEBI:132507) has functional parent (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
12-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoyl-CoA (CHEBI:137112) has functional parent (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
12,20-DiHETE (CHEBI:90990) has functional parent (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
12(R)-HETE (CHEBI:34144) is a (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
12(S)-HETE (CHEBI:34146) is a (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
12-HETE(1−) (CHEBI:90718) is conjugate base of (5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid (CHEBI:84447)
IUPAC Name 
(5Z,8Z,10E,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
Manual XrefsDatabases
LMFA03060088LIPID MAPS
Registry NumbersSources
Reaxys:4691531Reaxys
CAS:71030-37-0ChemIDplus