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CHEBI:57444 - 12(S)-HPETE(1−)

ChEBI IDCHEBI:57444
ChEBI Name12(S)-HPETE(1−)
Stars
ASCII Name12(S)-HPETE(1-)
DefinitionConjugate base of 12(S)-HPETE arising from deprotonation of the carboxylic acid function.
Last Modified6 April 2022
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
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)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKeyZIOZYRSDNLNNNJ-LQWMCKPYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
12(S)-HPETE(1−) (CHEBI:57444) has role human metabolite (CHEBI:77746)
12(S)-HPETE(1−) (CHEBI:57444) is a HPETE anion (CHEBI:59720)
12(S)-HPETE(1−) (CHEBI:57444) is conjugate base of 12(S)-HPETE (CHEBI:15626)
Incoming Relation(s)
12(S)-HPETE (CHEBI:15626) is conjugate acid of 12(S)-HPETE(1−) (CHEBI:57444)
IUPAC Name 
(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate
Synonym  Source
12(S)-HPETE anionChEBI
UniProt Name  Source
(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoateUniProt