Products 9025-88-1

CAS 9025-88-1 is the registry number for 3-Hydroxyisobutyryl CoA, >95% (HPLC). Offered by: TRC. Available pack sizes: 0,5mg, 2,5mg, 5mg.

3-Hydroxyisobutyryl CoA, >95% (HPLC)
TRC
  • size: 0,5mg, 2,5mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

3-hydroxy-2-methylpropanoyl-CoA is a methylpropanoyl-CoA. It is a conjugate acid of a 3-hydroxy-2-methylpropanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC25H42N7O18P3S
Molecular weight853.6 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxy-2-methylpropanethioate
InChIKeyWWEOGFZEFHPUAM-MIZDRFBCSA-N
SMILESCC(CO)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

Computed by PubChem (NCBI)

Synonyms: 3-Hydroxyisobutyryl CoA, 3-Hydroxy-2-methylpropanoyl-CoA, 3-Hydroxyisobutyryl coenzyme A, 3-Hydroxy-2-methylpropionyl-CoA, 3-Hydroxyisobutyryl-CoA; (Acyl-CoA); [M+H]+;
Isomers (same molecular formula)
S-[2-[3-[[(2R)-4-[[[(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-hydroxy-2-methylpropanethioate C25H42N7O18P3S