CHEBI:57444 - 12(S)-HPETE(1−)

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ChEBI Name 12(S)-HPETE(1−)
ChEBI ID CHEBI:57444
ChEBI ASCII Name 12(S)-HPETE(1-)
Definition Conjugate base of 12(S)-HPETE arising from deprotonation of the carboxylic acid function.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H31O4
Net Charge -1
Average Mass 335.45770
Monoisotopic Mass 335.22278
InChI InChI=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
InChIKey ZIOZYRSDNLNNNJ-LQWMCKPYSA-M
SMILES CCCCC\C=C/C[C@H](OO)\C=C\C=C/C\C=C/CCCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 12(S)-HPETE(1−) (CHEBI:57444) has role human metabolite (CHEBI:77746)
12(S)-HPETE(1−) (CHEBI:57444) is a hydroperoxy polyunsaturated fatty acid anion (CHEBI:134019)
12(S)-HPETE(1−) (CHEBI:57444) is conjugate base of 12(S)-HPETE (CHEBI:15626)
Incoming 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
Synonyms Sources
(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate UniProt
12(S)-HPETE anion ChEBI
Last Modified
13 March 2017