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CHEBI:91271 - 15-HPETE

ChEBI IDCHEBI:91271
ChEBI Name15-HPETE
Stars
DefinitionA HPETE that consists of (5Z,8Z,11Z,13E)-icosatetraenoic acid in which the hydroperoxy group is located at position 15.
Last Modified11 March 2020
SubmitterSteve
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCCC(/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/b5-4-,10-8-,11-9-,17-14+
InChIKeyBFWYTORDSFIVKP-USWFWKISSA-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)
15-HPETE (CHEBI:91271) has role human xenobiotic metabolite (CHEBI:76967)
15-HPETE (CHEBI:91271) is a HPETE (CHEBI:24644)
15-HPETE (CHEBI:91271) is conjugate acid of 15-HPETE(1−) (CHEBI:90821)
Incoming Relation(s)
15(S)-HPETE (CHEBI:15628) is a 15-HPETE (CHEBI:91271)
15-HPETE(1−) (CHEBI:90821) is conjugate base of 15-HPETE (CHEBI:91271)
IUPAC Name 
(5Z,8Z,11Z,13E)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
Synonyms  Source
(5Z,8Z,11Z,13E)-15-hydroperoxyicosatetraenoic acidChEBI
15-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoic acidChEBI
15-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoic acidChEBI
15-hydroperoxy-5,8,11,13-eicosatetraenoic acidChemIDplus
(5Z,8Z,11Z,13E)-15-hydroperoxy-5,8,11,13-icosatetraenoic acidChEBI
Manual XrefsDatabases
LMFA03060102LIPID MAPS
HMDB0062688HMDB
Registry NumbersSources
Reaxys:2474123Reaxys
CAS:67675-14-3ChemIDplus
Citations