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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:137495 - 13(
R
)-HODE
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ChEBI Name
13(
R
)-HODE
ChEBI ID
CHEBI:137495
ChEBI ASCII Name
13(R)-HODE
Definition
A 13-HODE in which the stereocentre at position 13 has
S
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H32O3
Net Charge
0
Average Mass
296.446
Monoisotopic Mass
296.23514
InChI
InChI=1S/C18H32O3/c1-
2-
3-
11-
14-
17(19)
15-
12-
9-
7-
5-
4-
6-
8-
10-
13-
16-
18(20)
21/h7,9,12,15,17,19H,2-
6,8,10-
11,13-
14,16H2,1H3,(H,20,21)
/b9-
7-
,15-
12+/t17-
/m1/s1
InChIKey
HNICUWMFWZBIFP-PIHGWCCBSA-N
SMILES
C(CCCCCCC\C=C/C=C/[C@@H](CCCCC)O)(=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
13-HODE
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
13(
R
)-HODE (
CHEBI:137495
)
is a
13-HODE (
CHEBI:72639
)
13(
R
)-HODE (
CHEBI:137495
)
is conjugate acid of
13(
R
)-HODE(1−) (
CHEBI:136655
)
Incoming
13(
R
)-HODE(1−) (
CHEBI:136655
)
is conjugate base of
13(
R
)-HODE (
CHEBI:137495
)
IUPAC Name
(9
Z
,11
E
,13
R
)-13-hydroxyoctadeca-9,11-dienoic acid
Synonyms
Sources
(13
R
)-HODE
ChEBI
(13
R
)-hydroxy-(9
Z
,11
E
)-octadecadienoic acid
ChEBI
(9
Z
,11
E
,13
R
)-13-hydroxyoctadecadienoic acid
ChEBI
Registry Numbers
Types
Sources
10219-69-9
CAS Registry Number
ChemIDplus
4316130
Reaxys Registry Number
Reaxys
Last Modified
22 June 2017