I0383

Isobutyryl coenzyme A lithium salt

≥85%

• Synonym(s): 2-Methylpropanoyl-CoA, IB-CoA
• Empirical Formula (Hill Notation): C₂₅H₄₂N₇O₁₇P₃S · xLi⁺
• CAS Number: 103404-95-1
• Molecular Weight: 837.62 (free acid basis)
• MDL number: MFCD00079368
• UNSPSC Code: 41106305
• PubChem Substance ID: 24895902
• NACRES: NA.51

Properties

• Quality Level: 200
• Assay: ≥85%
• storage temp.: −20°C
• SMILES string: [Li].CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n2cnc3c(N)ncnc23
• InChI: 1S/C25H42N7O17P3S.Li.H/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32;;/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);;
• InChI key: XOJGPZXPXDNYHG-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Coenzyme A functions as an acyl group carrier, acetyl-CoA. Isobutyryl coenzyme A (IB-CoA), a short-chain branched acyl-CoA, provides the starter unit for biosynthesis of myxalamid B. Isobutyryl coenzyme A is used as a substrate to study the specificity and kinetics of isobutyryl-coenzyme A (CoA) mutase (EC 5.4.99.13).

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