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CHEBI:90773 - 13(S)-HOTrE(1−)

ChEBI IDCHEBI:90773
ChEBI Name13(S)-HOTrE(1−)
Stars
ASCII Name13(S)-HOTrE(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 13S-HOTrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified9 June 2016
Submitternhn
DownloadsMolfile
FormulaC18H29O3
Net Charge-1
Average Mass293.427
Monoisotopic Mass293.21222
SMILESCC/C=C\C[C@H](O)/C=C/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/p-1/b9-7-,11-3-,15-12+/t17-/m0/s1
InChIKeyKLLGGGQNRTVBSU-FQSPHKRJSA-M
ChEBI Ontology
Outgoing Relation(s)
13(S)-HOTrE(1−) (CHEBI:90773) is a hydroxy polyunsaturated fatty acid anion (CHEBI:131871)
13(S)-HOTrE(1−) (CHEBI:90773) is a long-chain fatty acid anion (CHEBI:57560)
13(S)-HOTrE(1−) (CHEBI:90773) is conjugate base of 13(S)-HOTrE (CHEBI:84441)
Incoming Relation(s)
13(S)-HOTrE (CHEBI:84441) is conjugate acid of 13(S)-HOTrE(1−) (CHEBI:90773)
IUPAC Name 
(9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoate
Synonyms  Source
13S-HOTrESUBMITTER
(9Z,11E,13S,15Z)-13-hydroxyoctadecatrienoateChEBI
Citations