28007

Crotonoyl coenzyme A trilithium salt

~90% (HPLC)

• Synonym(s): trans-2-Butenoyl coenzyme A trilithium salt
• Empirical Formula (Hill Notation): C₂₅H₃₇Li₃N₇O₁₇P₃S
• Molecular Weight: 853.41
• MDL number: MFCD00151226
• PubChem Substance ID: 57648286
• NACRES: NA.51

Properties

• Assay: ~90% (HPLC)
• Quality Level: 100
• form: solid
• impurities: ≤10% water
• solubility: H₂O: 50 mg/mL, clear, colorless
• storage temp.: −20°C
• SMILES string: [Li+].[Li+].[Li+].C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)([O-])=O)n2cnc3c(N)ncnc23
• InChI: 1S/C25H40N7O17P3S.3Li/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;;;/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;;/q;3*+1/p-3/b5-4+;;;/t14-,18-,19-,20+,24-;;;/m1.../s1
• InChI key: LUYQFKSDLNQLEG-OUWZIDFPSA-K

Description

Application

Crotonoyl coenzyme A (Crotonoyl -CoA) may be used in anti-tubercular and anti-malarial drug research as a substrate to help identify and characterized enzymes such as Plasmodium falciparum enoyl-ACP reductase (PfENR) and other enoyl-CoA reductases that may be effective drug targets. Crotonoyl -CoA may be used as a substrate analogue for kinetic studies on ß-hydroxyacyl-acyl carrier protein (ACP) dehydratase (FabZ).

Other Notes

Oxidation-reduction of general acyl-CoA dehydrogenase by the butyryl-CoA/crotonyl-CoA couple; Purification of rat liver microsomal trans-2-enoyl-CoA reductase

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves