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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:52351 - 3-oxodocosanoic acid
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ChEBI Name
3-oxodocosanoic acid
ChEBI ID
CHEBI:52351
Definition
The 3-oxo monocarboxylic acid which has docasanoic (behenic) acid as the parent acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C22H42O3
Net Charge
0
Average Mass
354.568
Monoisotopic Mass
354.31340
InChI
InChI=1S/C22H42O3/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
21(23)
20-
22(24)
25/h2-
20H2,1H3,(H,24,25)
InChIKey
GLJSCOCOXZOMDN-UHFFFAOYSA-N
SMILES
C(CCCCCCCCCCCC)CCCCCCC(CC(=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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-oxodocosanoic acid (
CHEBI:52351
)
has functional parent
docosanoic acid (
CHEBI:28941
)
3-oxodocosanoic acid (
CHEBI:52351
)
is a
3-oxo monocarboxylic acid (
CHEBI:47881
)
Incoming
3-oxodocosanoyl-CoA (
CHEBI:52328
)
has functional parent
3-oxodocosanoic acid (
CHEBI:52351
)
IUPAC Name
3-oxodocosanoic acid
Synonym
Source
3-oxobehenic acid
ChEBI
Manual Xref
Database
LMFA01060142
LIPID MAPS
View more database links
Registry Number
Type
Source
1799737
Beilstein Registry Number
Beilstein
Last Modified
23 September 2015