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CHEBI:84027 - 9,10-DiHOME(1−)

ChEBI IDCHEBI:84027
ChEBI Name9,10-DiHOME(1−)
Stars
ASCII Name9,10-DiHOME(1-)
DefinitionA monounsaturated fatty acid anion that is the conjugate base of 9,10-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
SMILESCCCCC/C=C\CC(O)C(O)CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/p-1/b10-7-
InChIKeyXEBKSQSGNGRGDW-YFHOEESVSA-M
ChEBI Ontology
Outgoing Relation(s)
9,10-DiHOME(1−) (CHEBI:84027) is a hydroxy monounsaturated fatty acid anion (CHEBI:131870)
9,10-DiHOME(1−) (CHEBI:84027) is a long-chain fatty acid anion (CHEBI:57560)
9,10-DiHOME(1−) (CHEBI:84027) is conjugate base of 9,10-DiHOME (CHEBI:72663)
Incoming Relation(s)
9,10-DiHOME (CHEBI:72663) is conjugate acid of 9,10-DiHOME(1−) (CHEBI:84027)
IUPAC Name 
(12Z)-9,10-dihydroxyoctadec-12-enoate
Synonym  Source
(12Z)-9,10-dihydroxyoctadecenoateSUBMITTER
UniProt Name  Source
9,10-dihydroxy-(12Z)-octadecenoateUniProt