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CHEBI:136654 - 13(S)-HETE(1−)

ChEBI IDCHEBI:136654
ChEBI Name13(S)-HETE(1−)
Stars
ASCII Name13(S)-HETE(1-)
DefinitionA 13-HETE anion that is the conjugate base of 13(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified21 June 2017
Submitternhn
DownloadsMolfile
FormulaC20H31O3
Net Charge-1
Average Mass319.465
Monoisotopic Mass319.22787
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)/p-1/b8-6-,9-7-,16-13-,17-14-/t19-/m0/s1
InChIKeySAKQICHVWOJSNI-ABTNKUQXSA-M
ChEBI Ontology
Outgoing Relation(s)
13(S)-HETE(1−) (CHEBI:136654) is a 13-HETE(1−) (CHEBI:136524)
13(S)-HETE(1−) (CHEBI:136654) is conjugate base of 13(S)-HETE (CHEBI:137494)
Incoming Relation(s)
13(S)-HETE (CHEBI:137494) is conjugate acid of 13(S)-HETE(1−) (CHEBI:136654)
IUPAC Name 
(5Z,8Z,11Z,13S,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoate
Synonyms  Source
13(S)-HETE(1−)SUBMITTER
13(S)-hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoateChEBI
(5Z,8Z,11Z,13S,14Z)-13-hydroxyicosatetraenoateChEBI
UniProt Name  Source
13(S)-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoateUniProt
Citations