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CHEBI:91268 - 5-HPETE

ChEBI IDCHEBI:91268
ChEBI Name5-HPETE
Stars
DefinitionA HPETE that consists of (6E,8Z,11Z,14Z)-icosatetraenoic acid in which the hydroperoxy group is located at position 5.
Last Modified19 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\C(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)/b7-6-,10-9-,13-12-,16-14+
InChIKeyJNUUNUQHXIOFDA-XTDASVJISA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (10542053)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
5-HPETE (CHEBI:91268) has role human xenobiotic metabolite (CHEBI:76967)
5-HPETE (CHEBI:91268) is a HPETE (CHEBI:24644)
5-HPETE (CHEBI:91268) is conjugate acid of 5-HPETE(1−) (CHEBI:90822)
Incoming Relation(s)
5(S)-HPETE (CHEBI:15632) is a 5-HPETE (CHEBI:91268)
5-HPETE(1−) (CHEBI:90822) is conjugate base of 5-HPETE (CHEBI:91268)
IUPAC Name 
(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
Synonyms  Source
5-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoic acidChEBI
(6E,8Z,11Z,14Z)-5-hydroperoxyicosatetraenoic acidChEBI
5-hydroperoxy-(6E,8Z,11Z,14Z)-icosatetraenoic acidChEBI
Arachidonic acid 5-hydroperoxideChemIDplus
6,8,11,14-Eicosatetraenoic acid 5-hydroperoxideChemIDplus
Registry NumbersSources
Reaxys:4482926Reaxys
CAS:74581-83-2ChemIDplus
Citations