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CHEBI:90694 - 12(S)-HHTrE(1−)

Default Structure
ChEBI IDCHEBI:90694
ChEBI Name12(S)-HHTrE(1−)
Stars
ASCII Name12(S)-HHTrE(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HHTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified3 November 2016
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC17H27O3
Net Charge-1
Average Mass279.400
Monoisotopic Mass279.19657
SMILESCCCCC[C@H](O)/C=C/C=C/C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/p-1/b7-5-,8-6+,14-11+/t16-/m0/s1
InChIKeyKUKJHGXXZWHSBG-WBGSEQOASA-M
ChEBI Ontology
Outgoing Relation(s)
12(S)-HHTrE(1−) (CHEBI:90694) is a hydroxy polyunsaturated fatty acid anion (CHEBI:131871)
12(S)-HHTrE(1−) (CHEBI:90694) is a long-chain fatty acid anion (CHEBI:57560)
12(S)-HHTrE(1−) (CHEBI:90694) is conjugate base of 12S-HHTrE (CHEBI:63977)
Incoming Relation(s)
12S-HHTrE (CHEBI:63977) is conjugate acid of 12(S)-HHTrE(1−) (CHEBI:90694)
IUPAC Name 
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoate
UniProt Name  Source
(12S)-hydroxy-(5Z,8E,10E)-heptadecatrienoateUniProt
Citations