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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2341 - AACOCF3
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ChEBI Name
AACOCF3
ChEBI ID
CHEBI:2341
Definition
A fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H31F3O
Net Charge
0
Average Mass
356.46540
Monoisotopic Mass
356.23270
InChI
InChI=1S/C21H31F3O/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
19-
20(25)
21(22,23)
24/h6-
7,9-
10,12-
13,15-
16H,2-
5,8,11,14,17-
19H2,1H3/b7-
6-
,10-
9-
,13-
12-
,16-
15-
InChIKey
PLWROONZUDKYKG-DOFZRALJSA-N
SMILES
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Roles Classification
Biological Role
(s):
EC 3.1.1.4 (phospholipase A2) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of phospholipase A
2
(EC 3.1.1.4).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
AACOCF3 (
CHEBI:2341
)
has functional parent
arachidonic acid (
CHEBI:15843
)
AACOCF3 (
CHEBI:2341
)
has role
EC 3.1.1.4 (phospholipase A
2
) inhibitor (
CHEBI:50469
)
AACOCF3 (
CHEBI:2341
)
is a
fatty acid derivative (
CHEBI:61697
)
AACOCF3 (
CHEBI:2341
)
is a
ketone (
CHEBI:17087
)
AACOCF3 (
CHEBI:2341
)
is a
olefinic compound (
CHEBI:78840
)
AACOCF3 (
CHEBI:2341
)
is a
organofluorine compound (
CHEBI:37143
)
IUPAC Name
(6
Z
,9
Z
,12
Z
,15
Z
)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
Synonyms
Sources
AACOCF3
KEGG COMPOUND
Arachidonic acid trifluoromethyl ketone
ChemIDplus
Arachidonyl trifluoromethyl ketone
ChemIDplus
Arachidonyltrifluoromethane
ChemIDplus
Manual Xref
Database
C01397
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
149301-79-1
CAS Registry Number
ChemIDplus
7593118
Reaxys Registry Number
Reaxys
Last Modified
22 January 2015