Showing Metabocard for P(1),P(4)-bis(5'-adenosyl) tetraphosphate (BASm0003229)
| Common Name | P(1),p(4)-bis(5'-adenosyl) tetraphosphate |
|---|---|
| Description | P1,P4-Bis(5'-adenosyl) tetraphosphate is an intermediate in purine metabolism. P1,P4-Bis(5'-adenosyl) tetraphosphate is the first to last step in the synthesis of adenosine 5'-triphosphate (ATP) and is converted from adenosine 5'-phosphosulfate via the enzyme ATP adenylyltransferase (EC 2.7.7.53). [HMDB] |
| Structure | |
| Molecular Formula | C20H24N10O19P4 |
| Average Mass | 832.35520 |
| Monoisotopic Mass | 832.01696 |
| IUPAC Name | [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}phosphinato)oxy]phosphonate |
| Traditional Name | Not Available |
| CAS Registry Number | 5542-28-9 |
| SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O |
| InChI Identifier | InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4 |
| InChI Key | YOAHKNVSNCMZGQ-UHFFFAOYSA-J |
| CHEBI ID | CHEBI:58141 |
| HMDB ID | HMDB06502 |
| State | Solid |
| Water Solubility | 5.72e+00 g/l |
| logP | -0.49 |
| logS | -2.20 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |