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CHEBI:90850 - 13(S)-HODE(1−)

Default Structure
ChEBI IDCHEBI:90850
ChEBI Name13(S)-HODE(1−)
Stars
ASCII Name13(S)-HODE(1-)
DefinitionA hydroxy fatty acid anion that is the conjugate base of 13(S)-HODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Last Modified1 March 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC18H31O3
Net Charge-1
Average Mass295.443
Monoisotopic Mass295.22787
SMILESCCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/p-1/b9-7-,15-12+/t17-/m0/s1
InChIKeyHNICUWMFWZBIFP-IRQZEAMPSA-M
ChEBI Ontology
Outgoing Relation(s)
13(S)-HODE(1−) (CHEBI:90850) is a 13-HODE(1−) (CHEBI:133819)
13(S)-HODE(1−) (CHEBI:90850) is conjugate base of 13(S)-HODE (CHEBI:34154)
13(S)-HODE(1−) (CHEBI:90850) is enantiomer of 13(R)-HODE(1−) (CHEBI:136655)
Incoming Relation(s)
13(S)-HODE (CHEBI:34154) is conjugate acid of 13(S)-HODE(1−) (CHEBI:90850)
13(R)-HODE(1−) (CHEBI:136655) is enantiomer of 13(S)-HODE(1−) (CHEBI:90850)
IUPAC Name 
(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoate
Synonym  Source
(13S)-hydroxy-(9Z,11E)-octadecadienoateChEBI
UniProt Name  Source
(13S)-hydroxy-(9Z,11E)-octadecadienoateUniProt