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CHEBI:2341 - AACOCF3

ChEBI IDCHEBI:2341
ChEBI NameAACOCF3
Stars
DefinitionA fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group
Last Modified22 January 2015
DownloadsMolfile
FormulaC21H31F3O
Net Charge0
Average Mass356.472
Monoisotopic Mass356.23270
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C(F)(F)F
InChIInChI=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-
InChIKeyPLWROONZUDKYKG-DOFZRALJSA-N
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
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  Source
AACOCF3KEGG COMPOUND
ArachidonyltrifluoromethaneChemIDplus
Arachidonic acid trifluoromethyl ketoneChemIDplus
Arachidonyl trifluoromethyl ketoneChemIDplus
Manual XrefsDatabases
C01397KEGG COMPOUND
Registry NumbersSources
Reaxys:7593118Reaxys
CAS:149301-79-1ChemIDplus