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CHEBI:90680 - 12(S)-HETE(1−)

ChEBI IDCHEBI:90680
ChEBI Name12(S)-HETE(1−)
Stars
ASCII Name12(S)-HETE(1-)
DefinitionAn icosanoid anion that is the conjugate base of 12(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 March 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC20H31O3
Net Charge-1
Average Mass319.465
Monoisotopic Mass319.22787
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
InChIKeyZNHVWPKMFKADKW-LQWMCKPYSA-M
ChEBI Ontology
Outgoing Relation(s)
12(S)-HETE(1−) (CHEBI:90680) is a HETE anion (CHEBI:131858)
12(S)-HETE(1−) (CHEBI:90680) is a hydroxy polyunsaturated fatty acid anion (CHEBI:131871)
12(S)-HETE(1−) (CHEBI:90680) is a icosanoid anion (CHEBI:62937)
12(S)-HETE(1−) (CHEBI:90680) is a long-chain fatty acid anion (CHEBI:57560)
12(S)-HETE(1−) (CHEBI:90680) is conjugate base of 12(S)-HETE (CHEBI:34146)
Incoming Relation(s)
(5S)-hydroperoxy-(12S)-hydroxy-(6E,8Z,10E,14Z)-icosatetraenoate(1−) (CHEBI:145837) has functional parent 12(S)-HETE(1−) (CHEBI:90680)
12(S)-HETE (CHEBI:34146) is conjugate acid of 12(S)-HETE(1−) (CHEBI:90680)
IUPAC Name 
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoate
UniProt Name  Source
(12S)-hydroxy-(5Z,8Z,10E,14Z)-eicosatetraenoateUniProt