CHEBI:90773 - 13(S)-HOTrE(1−)

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ChEBI Name 13(S)-HOTrE(1−)
ChEBI ID CHEBI:90773
ChEBI ASCII Name 13(S)-HOTrE(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C18H29O3
Net Charge -1
Average Mass 293.422
Monoisotopic Mass 293.21222
InChI InChI=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
InChIKey KLLGGGQNRTVBSU-FQSPHKRJSA-M
SMILES C(CCCC([O-])=O)CCC/C=C\C=C\[C@H](C/C=C\CC)O
ChEBI Ontology
Outgoing 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 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 Sources
(9Z,11E,13S,15Z)-13-hydroxyoctadecatrienoate ChEBI
13S-HOTrE SUBMITTER
Citation Waiting for Citations Type Source
22984144 PubMed citation SUBMITTER
Last Modified
09 June 2016