Compound Summary
2-Methylthioadenosine triphosphate tetrasodium
Compound Information
2-Methylthioadenosine triphosphate tetrasodium
Compound Name: | 2-Methylthioadenosine triphosphate tetrasodium |
Compound CID: | 11957466 |
Synonyms: | 2-Methylthioadenosine triphosphate tetrasodium HMS3260O12 CCG-221459 LP00155 A-023 More... |
Iupac Name: | tetrasodium;[[[(2R,3R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
InChI: | InChI=1S/C11H18N5O13P3S.4Na/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t4-,6+,7?,10-;;;;/m1..../s1 |
InChIKey: | UEEFBRHXFDJPTA-KSYRULCJSA-J |
Canonical Smiles: | CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+] |
Isomeric Smiles: | CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3C([C@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+] |
Molecular Weight: | 641.2 |
Molecular Formula: | C11H14N5Na4O13P3S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
2-Methylthioadenosine triphosphate tetrasodium
Molecular Weight: | 641.2 |
Molecular Formula: | C11H14N5Na4O13P3S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 18 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 37 |
Complexity: | 825 |
Synonyms
2-Methylthioadenosine triphosphate tetrasodium
| 2-Methylthioadenosine triphosphate tetrasodium | 2-Methylthioadenosine triphosphate tetrasodium |
|---|---|
2-Methylthioadenosine triphosphate tetrasodium |
HMS3260O12 |
CCG-221459 |
LP00155 |
A-023 |
EU-0100155 |
Experimental Data
2-Methylthioadenosine triphosphate tetrasodium
| 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 | 1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
2-Methylthioadenosine triphosphate tetrasodium
Statistics Data
2-Methylthioadenosine triphosphate tetrasodium
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1.000000000000000 | 1 | 1 |
Statistics Data Visualization
2-Methylthioadenosine triphosphate tetrasodium
