EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131562 - (5S,15S)-5-hydroperoxy-15-HETE

ChEBI IDCHEBI:131562
ChEBI Name(5S,15S)-5-hydroperoxy-15-HETE
Stars
ASCII Name(5S,15S)-5-hydroperoxy-15-HETE
DefinitionA 5-hydroperoxy-15-HETE stereoisomer that has 5S,15S configuration.
Last Modified16 March 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCC[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO
InChIInChI=1S/C20H32O5/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(25-24)16-12-17-20(22)23/h5-8,10-11,14-15,18-19,21,24H,2-4,9,12-13,16-17H2,1H3,(H,22,23)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
InChIKeyAZHSPOPOMNJPFD-BVHTXILBSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
(5S,15S)-5-hydroperoxy-15-HETE (CHEBI:131562) is a 5-hydroperoxy-15-HETE (CHEBI:90833)
(5S,15S)-5-hydroperoxy-15-HETE (CHEBI:131562) is conjugate acid of (5S,15S)-5-hydroperoxy-15-HETE(1−) (CHEBI:131564)
Incoming Relation(s)
(5S,15S)-5-hydroperoxy-15-HETE(1−) (CHEBI:131564) is conjugate base of (5S,15S)-5-hydroperoxy-15-HETE (CHEBI:131562)
IUPAC Name 
(5S,6E,8Z,11Z,13E,15S)-5-hydroperoxy-15-hydroxyicosa-6,8,11,13-tetraenoic acid
Synonym  Source
(5S,15S)-5-Hp-15-HETEChEBI
Citations