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CHEBI:41540 - TRIFLUOROACETONYL COENZYME A

Default Structure
ChEBI IDCHEBI:41540
ChEBI NameTRIFLUOROACETONYL COENZYME A
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H37F3N7O17P3S
Net Charge0
Average Mass877.575
Monoisotopic Mass877.11316
SMILES[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])O[P@](=O)(O[H])O[P@@](=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([H])([H])C(=O)C(F)(F)F)O[C@@]1([H])n1c([H])nc2c(N([H])[H])nc([H])nc21
InChIInChI=1S/C24H37F3N7O17P3S/c1-23(2,18(38)21(39)30-4-3-14(36)29-5-6-55-8-13(35)24(25,26)27)9-48-54(45,46)51-53(43,44)47-7-12-17(50-52(40,41)42)16(37)22(49-12)34-11-33-15-19(28)31-10-32-20(15)34/h10-12,16-18,22,37-38H,3-9H2,1-2H3,(H,29,36)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t12-,16-,17-,18+,22-/m1/s1
InChIKeyXDIQTPZOIIYCTR-GRFIIANRSA-N
ChEBI Ontology
Outgoing Relation(s)
TRIFLUOROACETONYL COENZYME A (CHEBI:41540) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,3,3-trifluoro-2-oxopropyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)PDBeChem
TRIFLUOROACETONYL COENZYME APDBeChem
Manual XrefsDatabases
COFPDBeChem