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CHEBI:72665 - 12,13-DiHOME

Default Structure
ChEBI IDCHEBI:72665
ChEBI Name12,13-DiHOME
Stars
DefinitionA DiHOME obtained by formal dihydroxylation of the 12,13-double bond of octadeca-9,12-dienoic acid (the 9Z-geoisomer).
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC18H34O4
Net Charge0
Average Mass314.466
Monoisotopic Mass314.24571
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)/b11-8-
InChIKeyCQSLTKIXAJTQGA-FLIBITNWSA-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)
12,13-DiHOME (CHEBI:72665) is a DiHOME (CHEBI:72662)
12,13-DiHOME (CHEBI:72665) is conjugate acid of 12,13-DiHOME(1−) (CHEBI:84028)
Incoming Relation(s)
12,13-DiHOME(1−) (CHEBI:84028) is conjugate base of 12,13-DiHOME (CHEBI:72665)
IUPAC Name 
(9Z)-12,13-dihydroxyoctadec-9-enoic acid
Synonyms  Source
12,13-DHOAKEGG COMPOUND
12,13-DHOMEKEGG COMPOUND
12,13-dihydroxy-9Z-octadecenoic acidLIPID MAPS
(9Z)-12,13-Dihydroxyoctadec-9-enoic acidKEGG COMPOUND
IsoleukotoxinHMDB
Manual XrefsDatabases
C14829KEGG COMPOUND
HMDB0004705HMDB
LMFA02000230LIPID MAPS
Registry NumbersSources
Reaxys:1973358Reaxys