Compound Summary
Compound Information
2-Methylthioadenosine diphosphate trisodium
Compound Name: | 2-Methylthioadenosine diphosphate trisodium |
Compound CID: | 11957629 |
Synonyms: | 2-Methylthioadenosine diphosphate trisodium 2-(Methylthio)adenosine 5-diphosphate trisodium salt hydrate HMS3260C08 CCG-221397 LP00093 More... |
Iupac Name: | trisodium;[[(2R,3R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate |
InChI: | InChI=1S/C11H17N5O10P2S.3Na/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21);;;/q;3*+1/p-3/t4-,6+,7?,10-;;;/m1.../s1 |
InChIKey: | DYNGCIHMNWOBSU-XNEXLJLJSA-K |
Canonical Smiles: | CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[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-])[O-])O)O)N.[Na+].[Na+].[Na+] |
Molecular Weight: | 539.24 |
Molecular Formula: | C11H14N5Na3O10P2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
2-Methylthioadenosine diphosphate trisodium
Molecular Weight: | 539.24 |
Molecular Formula: | C11H14N5Na3O10P2S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 15 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 32 |
Complexity: | 669 |
Synonyms
2-Methylthioadenosine diphosphate trisodium
| 2-Methylthioadenosine diphosphate trisodium | 2-Methylthioadenosine diphosphate trisodium |
|---|---|
2-Methylthioadenosine diphosphate trisodium |
2-(Methylthio)adenosine 5-diphosphate trisodium salt hydrate |
HMS3260C08 |
CCG-221397 |
LP00093 |
EU-0100814 |
M-152 |
2-(Methylthio)-adenosine 5-trihydrogen diphosphate trisodium" |
Experimental Data
2-Methylthioadenosine diphosphate trisodium
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 4 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
2-Methylthioadenosine diphosphate trisodium
Statistics Data
2-Methylthioadenosine diphosphate trisodium
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4 | 1 | 1 |
Statistics Data Visualization
2-Methylthioadenosine diphosphate trisodium
