Isobutyryl-CoA

Catalog No. :
ACMAGF404
CAS No. :
15621-60-0
Molecular Formula :
C25H42N7O17P3S
Molecular Weight :
837.63

IUPAC Name:S-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2-methylpropanethioate

Isobutyryl-CoA structure diagram
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Product Information

Product NameIsobutyryl-CoA
IUPAC NameS-(2-(3-((2R)-4-(((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-2-hydroxy-3,3-dimethylbutanamido)propanamido)ethyl) 2-methylpropanethioate
Molecular FormulaC25H42N7O17P3S
Molecular Weight837.63
SMILESO[C@H]1[C@](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C(C)C)=O)=O)=O)(O)=O)(O)=O)([H])N2C3=NC=NC(N)=C3N=C2
InChI KeyAEWHYWSPVRZHCT-NDZSKPAWSA-N
Synonym[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(2-methylpropanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid;Isobutyryl-CoA;isobutyryl-coenzyme A;Coenzyme A, S-(2-methylpropanoate)
CAS No.15621-60-0

Synthetic Route by SureRoute

1. ACMAGF404 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACMAGF404 route product structure diagram
    ACMAGF40415621-60-0
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2. ACMAGF404 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACMAGF404 route product structure diagram
    ACMAGF40415621-60-0
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