9,10-DiHOME (CHEBI:72663)

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ChEBI Name	9,10-DiHOME

ChEBI ID	CHEBI:72663

Definition	A DiHOME obtained by formal dihydroxylation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O4

Net Charge

Average Mass

314.46020

Monoisotopic Mass

314.24571

InChI

InChI=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-

InChIKey

XEBKSQSGNGRGDW-YFHOEESVSA-N

SMILES

CCCCC\C=C/CC(O)C(O)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 )

ChEBI Ontology
Outgoing	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	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	Sources
(12Z)-9,10-Dihydroxyoctadec-12-enoic acid	LIPID MAPS
(12Z)-9,10-Dihydroxyoctadec-12-enoic acid	KEGG COMPOUND
9,10-DHOA	KEGG COMPOUND
9,10-DHOME	KEGG COMPOUND
9,10-dihydroxy-12Z-octadecenoic acid	LIPID MAPS
9,10-Hydroxyoctadec-12(Z)-enoic acid	IUBMB
Leukotoxin diol	LIPID MAPS

Registry Number	Type	Source
6807939	Reaxys Registry Number	Reaxys

Last Modified

23 October 2015