Products 6712-02-3

CAS 6712-02-3 is the registry number for 2-Methylbutyryl-CoA. Offered by: MedChemExpress. Available pack sizes: 1 mg.

2-Methylbutyryl-CoA
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 5395.58
View product
Structural formula: {0} (CAS {1})

2-methylbutanoyl-CoA is a short-chain, methyl-branched fatty acyl-CoA having 2-methylbutanoyl as the S-acyl group. It is a methyl-branched fatty acyl-CoA and a short-chain fatty acyl-CoA. It is functionally related to a coenzyme A and a 2-methylbutyric acid. It is a conjugate acid of a 2-methylbutanoyl-CoA(4-).

Source: ChEBI

Identity
Molecular formulaC26H44N7O17P3S
Molecular weight851.7 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] 2-methylbutanethioate
InChIKeyLYNVNYDEQMMNMZ-XGXNYEOVSA-N
SMILESCCC(C)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: 2-Methylbutyryl CoA, 2-methylbutanoyl-CoA, 2-methylbutyryl-CoA, 2-methylbutyryl-coenzyme A, S-(2-methylbutanoyl)-CoA, 2-methylbutanoyl-coenzyme A, starbld0038493, LYNVNYDEQMMNMZ-XGXNYEOVSA-N, 2-methylbutanoyl-coenzyme A;2-methylbutyryl-coenzyme A;S-(2-methylbutanoyl)-CoA
Isomers (same molecular formula)
S-[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] pentanethioate C26H44N7O17P3S
S-[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-methylbutanethioate C26H44N7O17P3S
S-[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] 2,2-dimethylpropanethioate C26H44N7O17P3S

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