Chemical Compound

2-methylbutyryl-CoA

CAS Registry Number 6712-02-3
2-methylbutyryl-CoA chemical structure
Primary Record

2-methylbutyryl-CoA

In stock
9,049 g
Purity
99.3 %
CAS
6712-02-3

Compound Identifiers & Properties

CAS
6712-02-3
PubChem CID
439371
SMILES
CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(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
Canonical SMILES
CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

Names & Synonyms

  • 2-methylbutyryl-CoA
  • 2-Methylbutyryl CoA
  • 2-methylbutanoyl-CoA
  • Dec-4-enedioyl-CoA
  • alpha-Methylbutyryl CoA
  • AC1L977W
  • SCHEMBL22609304
  • SCHEMBL26135395
  • CID439371
  • J1.204.889K
  • 2-methylbutyryl-CoA; (Acyl-CoA); [M+H]+;
  • C01033
  • S-[2-[3-[[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
  • 6712-02-3
  • {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-methylbutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
  • Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(2-methylbutyrylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester