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CHEBI:72663 - 9,10-DiHOME

Default Structure
ChEBI IDCHEBI:72663
ChEBI Name9,10-DiHOME
Stars
DefinitionA DiHOME obtained by formal dihydroxylation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC18H34O4
Net Charge0
Average Mass314.466
Monoisotopic Mass314.24571
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)/b10-7-
InChIKeyXEBKSQSGNGRGDW-YFHOEESVSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
9,10-DiHOME (CHEBI:72663) is a DiHOME (CHEBI:72662)
9,10-DiHOME (CHEBI:72663) is conjugate acid of 9,10-DiHOME(1−) (CHEBI:84027)
Incoming Relation(s)
9,10-DiHOME(1−) (CHEBI:84027) is conjugate base of 9,10-DiHOME (CHEBI:72663)
IUPAC Name 
(12Z)-9,10-dihydroxyoctadec-12-enoic acid
Synonyms  Source
(12Z)-9,10-Dihydroxyoctadec-12-enoic acidLIPID MAPS
(12Z)-9,10-Dihydroxyoctadec-12-enoic acidKEGG COMPOUND
9,10-DHOAKEGG COMPOUND
9,10-DHOMEKEGG COMPOUND
9,10-dihydroxy-12Z-octadecenoic acidLIPID MAPS
9,10-Hydroxyoctadec-12(Z)-enoic acidIUBMB
Manual XrefsDatabases
C14828KEGG COMPOUND
HMDB0004704HMDB
LMFA02000229LIPID MAPS
Registry NumbersSources
Reaxys:6807939Reaxys