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CHEBI:84028 - 12,13-DiHOME(1−)

Default Structure
ChEBI IDCHEBI:84028
ChEBI Name12,13-DiHOME(1−)
Stars
ASCII Name12,13-DiHOME(1-)
DefinitionA monounsaturated fatty acid anion that is the conjugate base of 12,13-DiHOME, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified9 June 2016
Submitterlaimo
DownloadsMolfile
FormulaC18H33O4
Net Charge-1
Average Mass313.458
Monoisotopic Mass313.23843
SMILESCCCCCC(O)C(O)C/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/p-1/b11-8-
InChIKeyCQSLTKIXAJTQGA-FLIBITNWSA-M
ChEBI Ontology
Outgoing Relation(s)
12,13-DiHOME(1−) (CHEBI:84028) is a hydroxy monounsaturated fatty acid anion (CHEBI:131870)
12,13-DiHOME(1−) (CHEBI:84028) is a long-chain fatty acid anion (CHEBI:57560)
12,13-DiHOME(1−) (CHEBI:84028) is conjugate base of 12,13-DiHOME (CHEBI:72665)
Incoming Relation(s)
12,13-DiHOME (CHEBI:72665) is conjugate acid of 12,13-DiHOME(1−) (CHEBI:84028)
IUPAC Name 
(9Z)-12,13-dihydroxyoctadec-9-enoate
Synonym  Source
(9Z)-12,13-dihydroxyoctadecenoateSUBMITTER
UniProt Name  Source
12,13-dihydroxy-(9Z)-octadecenoateUniProt