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CHEBI:15626 - 12(S)-HPETE

ChEBI IDCHEBI:15626
ChEBI Name12(S)-HPETE
Stars
ASCII Name12(S)-HPETE
DefinitionThe (S)-enantiomer of 12-HPETE.
Secondary ChEBI IDsCHEBI:250, CHEBI:740, CHEBI:10907, CHEBI:18593, CHEBI:19137, CHEBI:28896
Last Modified23 December 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKeyZIOZYRSDNLNNNJ-LQWMCKPYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
12(S)-HPETE (CHEBI:15626) has functional parent icosa-5,8,10,14-tetraenoic acid (CHEBI:36039)
12(S)-HPETE (CHEBI:15626) has role mouse metabolite (CHEBI:75771)
12(S)-HPETE (CHEBI:15626) is a HPETE (CHEBI:24644)
12(S)-HPETE (CHEBI:15626) is conjugate acid of 12(S)-HPETE(1−) (CHEBI:57444)
12(S)-HPETE (CHEBI:15626) is enantiomer of 12(R)-HPETE (CHEBI:34145)
Incoming Relation(s)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]-γ-aminobutanoic acid (CHEBI:132740) has functional parent 12(S)-HPETE (CHEBI:15626)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine (CHEBI:132736) has functional parent 12(S)-HPETE (CHEBI:15626)
N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycine (CHEBI:132725) has functional parent 12(S)-HPETE (CHEBI:15626)
12(S)-HPETE methyl ester (CHEBI:78035) has functional parent 12(S)-HPETE (CHEBI:15626)
12(S)-HPETE(1−) (CHEBI:57444) is conjugate base of 12(S)-HPETE (CHEBI:15626)
12(R)-HPETE (CHEBI:34145) is enantiomer of 12(S)-HPETE (CHEBI:15626)
IUPAC Name 
(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid
Synonyms  Source
(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoateKEGG COMPOUND
(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoateKEGG COMPOUND
12-HydroperoxyeicosatetraenoateKEGG COMPOUND
12-HydroperoxyicosatetraenoateKEGG COMPOUND
12-Hydroperoxyeicosatetraenoic acidKEGG COMPOUND
12-Hydroperoxyicosatetraenoic acidKEGG COMPOUND
Manual XrefsDatabases
C05965KEGG COMPOUND
LMFA03060042LIPID MAPS
LMFA03060013LIPID MAPS
Registry NumbersSources
CAS:67675-13-2ChemIDplus