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> Main
CHEBI:72665 - 12,13-DiHOME
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ChEBI Ontology
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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 9
Z
-geoisomer).
Stars
This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
(9
Z
)-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-9
Z
-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