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CHEBI:138110 - 16(S)-HETE

ChEBI IDCHEBI:138110
ChEBI Name16(S)-HETE
Stars
ASCII Name16(S)-HETE
DefinitionA 16-HETE in which the chiral centre at position 16 has S-configuration.
Last Modified9 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCCCC[C@H](O)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m0/s1
InChIKeyJEKNPVYFNMZRJG-IFOZKBMWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (28655971)
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.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
16(S)-HETE (CHEBI:138110) has role anti-inflammatory agent (CHEBI:67079)
16(S)-HETE (CHEBI:138110) has role human xenobiotic metabolite (CHEBI:76967)
16(S)-HETE (CHEBI:138110) is a 16-HETE (CHEBI:63994)
16(S)-HETE (CHEBI:138110) is conjugate acid of 16(S)-HETE(1−) (CHEBI:137167)
16(S)-HETE (CHEBI:138110) is enantiomer of 16(R)-HETE (CHEBI:34162)
Incoming Relation(s)
16(S)-HETE(1−) (CHEBI:137167) is conjugate base of 16(S)-HETE (CHEBI:138110)
16(R)-HETE (CHEBI:34162) is enantiomer of 16(S)-HETE (CHEBI:138110)
IUPAC Name 
(5Z,8Z,11Z,14Z,16S)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms  Source
(16S)-hydroxyarachidonic acidChEBI
16(S)-hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoic acidChEBI
(5Z,8Z,11Z,14Z,16S)-16-hydroxyeicosa-5,8,11,14-tetraenoic acidChEBI
(16S)-HETEChEBI
16(S)-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acidChEBI
(5Z,8Z,11Z,14Z,16S)-16-hydroxyeicosatetraenoic acidChEBI
Registry NumbersSources
Reaxys:9287648Reaxys
Citations