Compound Summary
Compound Information
MRS 2179
Compound Name: | MRS 2179 |
Compound CID: | 5311302 |
Synonyms: | MRS 2179 2-Deoxy-N6-methyl adenosine 3,5-diphosphate diammonium salt HMS3262G14 Tox21_500756 LP00756 More... |
Iupac Name: | diazanium;[(2R,3S,5R)-3-[hydroxy(oxido)phosphoryl]oxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl hydrogen phosphate |
InChI: | InChI=1S/C11H17N5O9P2.2H3N/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19;;/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22);2*1H3/t6-,7+,8+;;/m0../s1 |
InChIKey: | GAQWEBYIOMWWHZ-ZJWYQBPBSA-N |
Canonical Smiles: | CNC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)COP(=O)(O)[O-])OP(=O)(O)[O-].[NH4+].[NH4+] |
Isomeric Smiles: | CNC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)[O-])OP(=O)(O)[O-].[NH4+].[NH4+] |
Molecular Weight: | 459.29 |
Molecular Formula: | C11H23N7O9P2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
MRS 2179
Molecular Weight: | 459.29 |
Molecular Formula: | C11H23N7O9P2 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 13 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 29 |
Complexity: | 613 |
Synonyms
MRS 2179
| MRS 2179 | MRS 2179 |
|---|---|
MRS 2179 |
2-Deoxy-N6-methyl adenosine 3,5-diphosphate diammonium salt |
HMS3262G14 |
Tox21_500756 |
LP00756 |
NCGC00094096-01 |
NCGC00261441-01 |
EU-0100756 |
M 3808 |
Experimental Data
MRS 2179
| 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 | -7 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
MRS 2179
Statistics Data
MRS 2179
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -7 | 1 | 1 |
Statistics Data Visualization
MRS 2179
