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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:142988 - 2-hydroxyerucate
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ChEBI Name
2-hydroxyerucate
ChEBI ID
CHEBI:142988
Definition
A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxyerucic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
laimo
Supplier Information
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Formula
C22H41O3
Net Charge
-1
Average Mass
353.560
Monoisotopic Mass
353.30612
InChI
InChI=1S/C22H42O3/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20-
21(23)
22(24)
25/h9-
10,21,23H,2-
8,11-
20H2,1H3,(H,24,25)
/p-
1/b10-
9-
InChIKey
VZMAFALCHHMPNA-KTKRTIGZSA-M
SMILES
C(C)CCCCCC/C=C\CCCCCCCCCCC(C(=O)[O-])O
ChEBI Ontology
Outgoing
2-hydroxyerucate (
CHEBI:142988
)
has functional parent
erucate (
CHEBI:32393
)
2-hydroxyerucate (
CHEBI:142988
)
is a
2-hydroxy fatty acid anion (
CHEBI:76176
)
2-hydroxyerucate (
CHEBI:142988
)
is a
long-chain fatty acid anion (
CHEBI:57560
)
2-hydroxyerucate (
CHEBI:142988
)
is a
monounsaturated fatty acid anion (
CHEBI:82680
)
2-hydroxyerucate (
CHEBI:142988
)
is conjugate base of
2-hydroxyerucic acid (
CHEBI:143027
)
Incoming
2-hydroxyerucic acid (
CHEBI:143027
)
is conjugate acid of
2-hydroxyerucate (
CHEBI:142988
)
IUPAC Name
(13
Z
)-2-hydroxydocos-13-enoate
Synonyms
Sources
2-hydroxy-(13
Z
)-docosenoate
SUBMITTER
2-hydroxyerucic acid(1−)
ChEBI
Last Modified
08 February 2019