ATP-gamma-S, Kinase substrate

Key facts

CAS number

93839-89-5

Purity

>80%

Form

Solid

form

Molecular weight

547.1 Da

Molecular formula

C₁₀H₁₂Li₄N₅O₁₂P₃S

PubChem

5311341

Nature

Synthetic

Solubility

Soluble in water to 10 mM

Biochemical name

Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid, tetralithium salt

Biological description

Substrate and inhibitor of ATP-dependent enzyme systems. Hydrolyzed very slowly by phosphatases and most ATPases. Once thiophosphorylated, proteins are resistant to protein phosphatases. P2 purinergic receptor agonist.

Canonical smiles

[Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N

Isomeric smiles

[Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N

InChi

InChI=1S/C10H16N5O12P3S.4Li/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31;;;;/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31);;;;/q;4*+1/p-4/t4-,6-,7-,10-;;;;/m1..../s1

InChiKey

DWQFDOIBOYDYKH-KWIZKVQNSA-J

IUPAC Name

tetralithium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] dioxidophosphinothioyl phosphate