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Definition A fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group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.
Supplier Information
Download Molfile XML SDF
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 A2 (EC 3.1.1.4).
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ChEBI Ontology
Outgoing AACOCF3 (CHEBI:2341) has functional parent arachidonic acid (CHEBI:15843)
AACOCF3 (CHEBI:2341) has role EC 3.1.1.4 (phospholipase A2) 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
(6Z,9Z,12Z,15Z)-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