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CHEBI:137494 - 13(S)-HETE

ChEBI IDCHEBI:137494
ChEBI Name13(S)-HETE
Stars
ASCII Name13(S)-HETE
DefinitionA 13-HETE in which the stereocentre at position 13 has S-configuration.
Last Modified21 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCCCCC/C=C\[C@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-/t19-/m0/s1
InChIKeySAKQICHVWOJSNI-ABTNKUQXSA-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).
Biological Role:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
13(S)-HETE (CHEBI:137494) is a 13-HETE (CHEBI:137345)
13(S)-HETE (CHEBI:137494) is conjugate acid of 13(S)-HETE(1−) (CHEBI:136654)
Incoming Relation(s)
13(S)-HETE(1−) (CHEBI:136654) is conjugate base of 13(S)-HETE (CHEBI:137494)
IUPAC Name 
(5Z,8Z,11Z,13S,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms  Source
13(S)-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acidChEBI
13(S)-hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoic acidChEBI
(5Z,8Z,11Z,13S,14Z)-13-hydroxyicosatetraenoic acidChEBI
(13S)-HETEChEBI
Registry NumbersSources
Reaxys:24193912Reaxys
Citations