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CHEBI:90771 - 12(S)-HETrE(1−)

ChEBI IDCHEBI:90771
ChEBI Name12(S)-HETrE(1−)
Stars
ASCII Name12(S)-HETrE(1-)
DefinitionAn icosanoid anion anion that is the conjugate base of 12(S)-HETrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified15 February 2017
Submitternhn
DownloadsMolfile
FormulaC20H33O3
Net Charge-1
Average Mass321.481
Monoisotopic Mass321.24352
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C\CCCCCCC(=O)[O-]
InChIInChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/p-1/b11-8-,13-10-,17-14+/t19-/m0/s1
InChIKeyYYIXZLMPKIFFGQ-ONNNWOQGSA-M
ChEBI Ontology
Outgoing Relation(s)
12(S)-HETrE(1−) (CHEBI:90771) has functional parent all-cis-icosa-8,11,14-trienoate (CHEBI:71589)
12(S)-HETrE(1−) (CHEBI:90771) is a hydroxyicosatrienoate (CHEBI:133539)
12(S)-HETrE(1−) (CHEBI:90771) is conjugate base of 12(S)-HETrE (CHEBI:90995)
Incoming Relation(s)
12(S)-HETrE (CHEBI:90995) is conjugate acid of 12(S)-HETrE(1−) (CHEBI:90771)
IUPAC Name 
(8Z,10E,12S,14Z)-12-hydroxyicosa-8,10,14-trienoate
Synonyms  Source
(12S)-hydroxy-(8Z,10E,14Z)-eicosatrienoateSUBMITTER
(12S)-hydroxy-(8Z,10E,14Z)-icosatrienoateChEBI
UniProt Name  Source
12S-HETrEUniProt
Citations