EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:57450 - 5(S)-HPETE(1−)

ChEBI IDCHEBI:57450
ChEBI Name5(S)-HPETE(1−)
Stars
ASCII Name5(S)-HPETE(1-)
DefinitionConjugate base of 5(S)-HPETE arising from deprotonation of the carboxylic acid function.
Last Modified3 October 2016
DownloadsMolfile
FormulaC20H31O4
Net Charge-1
Average Mass335.464
Monoisotopic Mass335.22278
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)[O-])OO
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKeyJNUUNUQHXIOFDA-JGKLHWIESA-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)
5(S)-HPETE(1−) (CHEBI:57450) has role human metabolite (CHEBI:77746)
5(S)-HPETE(1−) (CHEBI:57450) is a HPETE anion (CHEBI:59720)
5(S)-HPETE(1−) (CHEBI:57450) is conjugate base of 5(S)-HPETE (CHEBI:15632)
5(S)-HPETE(1−) (CHEBI:57450) is enantiomer of 5(R)-HPETE(1−) (CHEBI:193570)
Incoming Relation(s)
5(S)-HPETE (CHEBI:15632) is conjugate acid of 5(S)-HPETE(1−) (CHEBI:57450)
5(R)-HPETE(1−) (CHEBI:193570) is enantiomer of 5(S)-HPETE(1−) (CHEBI:57450)
IUPAC Name 
(5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate
Synonym  Source
5(S)-HPETE anionChEBI
UniProt Name  Source
(5S)-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoateUniProt
Manual XrefsDatabases
HMDB0011135HMDB