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CHEBI:77949 - 9-HOTrE(1−)

ChEBI IDCHEBI:77949
ChEBI Name9-HOTrE(1−)
Stars
ASCII Name9-HOTrE(1-)
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of 9-HOTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified9 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC18H29O3
Net Charge-1
Average Mass293.427
Monoisotopic Mass293.21222
SMILESCC/C=C\C/C=C\C=C\C(O)CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b4-3-,8-6-,14-11+
InChIKeyRIGGEAZDTKMXSI-CUHSZNQNSA-M
ChEBI Ontology
Outgoing Relation(s)
9-HOTrE(1−) (CHEBI:77949) is a hydroxy fatty acid anion (CHEBI:59835)
9-HOTrE(1−) (CHEBI:77949) is a long-chain fatty acid anion (CHEBI:57560)
9-HOTrE(1−) (CHEBI:77949) is a polyunsaturated fatty acid anion (CHEBI:76567)
9-HOTrE(1−) (CHEBI:77949) is conjugate base of 9-HOTrE (CHEBI:72625)
Incoming Relation(s)
9-HOTrE (CHEBI:72625) is conjugate acid of 9-HOTrE(1−) (CHEBI:77949)
IUPAC Name 
(10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate