COF
TRIFLUOROACETONYL COENZYME A
Find entries where: COF
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | TRIFLUOROACETONYL COENZYME A |
Identifiers | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methyl [hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3,3,3-trifluoro-2-oxo-propyl)sulfanylethylamino]propyl]amino]butoxy]phosphoryl] hydrogen phosphate |
Formula | C24 H37 F3 N7 O17 P3 S |
Molecular Weight | 877.569 |
Type | NON-POLYMER |
Isomeric SMILES | CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O |
InChI | InChI=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 |
InChIKey | XDIQTPZOIIYCTR-GRFIIANRSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 92 |
Chiral Atom Count | 7 |
Bond Count | 94 |
Aromatic Bond Count | 10 |
Drug Info: DrugBank
DrugBank ID | DB01969 |
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Name | Trifluoroacetonyl coenzyme A |
Groups | experimental |
Synonyms | Trifluoroacetonyl coenzyme A |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
Citrate synthase, mitochondrial | MALLTAAARLLGTKNASCLVLAARHASASSTNLKDILADLIPKEQARIKT... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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PubChem | 449575 |