Compound Summary
P1,P4-Di(adenosine-5\')tetraphosphate triammonium
Compound Information
P1,P4-Di(adenosine-5')tetraphosphate triammonium
Compound Name: | P1,P4-Di(adenosine-5')tetraphosphate triammonium |
Compound CID: | 11957521 |
Synonyms: | "P1,P4-Di(adenosine-5)tetraphosphate triammonium EU-0100395 HMS3261O11 CCG-221699 LP00395 More... |
Iupac Name: | triazanium;[[(2S,3S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
InChI: | InChI=1S/C20H28N10O19P4.3H3N/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);3*1H3/t7-,8+,11+,12-,13?,14?,19-,20+;;; |
InChIKey: | KOAVUYZAVMEAFA-ABCHLGSSSA-N |
Canonical Smiles: | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[NH4+].[NH4+].[NH4+] |
Isomeric Smiles: | C1=NC(=C2C(=N1)N(C=N2)[C@@H]3C([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@@H](C([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[NH4+].[NH4+].[NH4+] |
Molecular Weight: | 887.5 |
Molecular Formula: | C20H37N13O19P4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
P1,P4-Di(adenosine-5')tetraphosphate triammonium
Molecular Weight: | 887.5 |
Molecular Formula: | C20H37N13O19P4 |
Hydrogen Bond Donor Count: | 10 |
Hydrogen Bond Acceptor Count: | 27 |
Rotatable Bond Count: | 14 |
Heavy Atom Count: | 56 |
Complexity: | 1490 |
Synonyms
P1,P4-Di(adenosine-5')tetraphosphate triammonium
| P1,P4-Di(adenosine-5')tetraphosphate triammonium | P1,P4-Di(adenosine-5')tetraphosphate triammonium |
|---|---|
"P1,P4-Di(adenosine-5)tetraphosphate triammonium |
EU-0100395 |
HMS3261O11 |
CCG-221699 |
LP00395 |
Experimental Data
P1,P4-Di(adenosine-5')tetraphosphate triammonium
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -14.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
P1,P4-Di(adenosine-5')tetraphosphate triammonium
Statistics Data
P1,P4-Di(adenosine-5')tetraphosphate triammonium
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -14.000000000000000 | 1 | 1 |
Statistics Data Visualization
P1,P4-Di(adenosine-5')tetraphosphate triammonium
