CHEBI:72665 - 12,13-DiHOME

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 12,13-DiHOME
ChEBI ID CHEBI:72665
Definition A DiHOME obtained by formal dihydroxylation of the 12,13-double bond of octadeca-9,12-dienoic acid (the 9Z-geoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:1934501
Download Molfile XML SDF
Formula C18H34O4
Net Charge 0
Average Mass 314.46020
Monoisotopic Mass 314.24571
InChI InChI=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-
InChIKey CQSLTKIXAJTQGA-FLIBITNWSA-N
SMILES CCCCCC(O)C(O)C\C=C/CCCCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via DiHOME )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(9Z)-12,13-Dihydroxyoctadec-9-enoic acid KEGG COMPOUND
12,13-DHOA KEGG COMPOUND
12,13-DHOME KEGG COMPOUND
12,13-dihydroxy-9Z-octadecenoic acid LIPID MAPS
Isoleukotoxin HMDB
Manual Xrefs Databases
C14829 KEGG COMPOUND
HMDB0004705 HMDB
LMFA02000230 LIPID MAPS
View more database links
Registry Number Type Source
1973358 Reaxys Registry Number Reaxys
Last Modified
23 October 2015