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Home/Compounds/Research Reagent/PUBCHEM_44134488
C25H37N7Na3O18P3S
917.6 g/mol
Research Reagent

Trisodium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

CAS102029-52-7
Category
Research Reagent
Compound Class
Other
Primary Use
Research Compound

This compound is a sodium salt form of a nucleotide-like molecule featuring a coenzyme A fragment linked to an adenosine phosphate moiety. Its highly polar, multi-functional structure makes it suitable as a biochemical research reagent for studying enzyme mechanisms involving acyl transfer or energy metabolism.

Biochemical research reagent for enzyme mechanism studiesCompound used in metabolic pathway investigations

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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CAS 102029-52-7

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Related Compounds

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Referencesame scaffold

2'-o-propargyladenosine

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Referencesame scaffold

6-Chloropurine 2'-deoxyriboside

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Referencesame scaffold

2-Amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl)sulfanyl)butanoic acid

CAS58976-18-4

pharmaceutical raw material

Identifiers
IUPAC Name

trisodium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

InChIKey

KJJYKBIEKQJXHM-UHFFFAOYSA-K

SMILES

CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

Synonyms (5)
  • Acetoacetyl-CoAxNa