Molecular Identity
5'-Atp
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
PubChem CID: 5957
ATP is an adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. It has a role as a cofactor, a micronutrient, a nutraceutical and a fundamental metabolite. It is a purine ribonucleoside 5'-triphosphate and an adenosine 5'-phosphate. It is a conjugate acid of an ATP(3-).
2D Structure
Properties
C10H16N5O13P3
Molecular Formula
507.18
Molecular Weight
g/mol
506.9957
Exact Mass
Da
-5.7
XLogP
Drug-like (Lipinski: < 5)
279
TPSA
May have limited oral absorption
7
H-Bond Donors
17
H-Bond Acceptors
800
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NIsomeric SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NSynonyms(20)
Adenosine triphosphate56-65-5TriphosphadenMyotriphosTriadenylGlucobasinAdetolAdynolAtipiAdephosAdenosine 5'-(tetrahydrogen triphosphate)Adenylpyrophosphoric acid5'-AtpAdenosine 5'-triphosphoric acidTriphosphoric acid adenosine ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 5'-Atp
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