Compound Summary
Compound Information
2-Chloroadenosine triphosphate tetrasodium
Compound Name: | 2-Chloroadenosine triphosphate tetrasodium |
Compound CID: | 11957510 |
Synonyms: | 2-Chloroadenosine triphosphate tetrasodium 2-Chloro-ATP tetrasodium DTXSID001019048 HMS3261G07 CCG-221657 More... |
Iupac Name: | tetrasodium;[[[(2R,3R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
InChI: | InChI=1S/C10H15ClN5O13P3.4Na/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t3-,5+,6?,9-;;;;/m1..../s1 |
InChIKey: | JGKMWMQAWOVZHJ-ZHEKZYRDSA-J |
Canonical Smiles: | C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)Cl)N.[Na+].[Na+].[Na+].[Na+] |
Isomeric Smiles: | C1=NC2=C(N=C(N=C2N1[C@H]3C([C@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)Cl)N.[Na+].[Na+].[Na+].[Na+] |
Molecular Weight: | 629.55 |
Molecular Formula: | C10H11ClN5Na4O13P3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
2-Chloroadenosine triphosphate tetrasodium
Molecular Weight: | 629.55 |
Molecular Formula: | C10H11ClN5Na4O13P3 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 17 |
Rotatable Bond Count: | 7 |
Heavy Atom Count: | 36 |
Complexity: | 808 |
Synonyms
2-Chloroadenosine triphosphate tetrasodium
| 2-Chloroadenosine triphosphate tetrasodium | 2-Chloroadenosine triphosphate tetrasodium |
|---|---|
2-Chloroadenosine triphosphate tetrasodium |
2-Chloro-ATP tetrasodium |
DTXSID001019048 |
HMS3261G07 |
CCG-221657 |
LP00353 |
C-145 |
EU-0100353 |
Experimental Data
2-Chloroadenosine triphosphate tetrasodium
| 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 | 3 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
2-Chloroadenosine triphosphate tetrasodium
Statistics Data
2-Chloroadenosine triphosphate tetrasodium
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3 | 1 | 1 |
Statistics Data Visualization
2-Chloroadenosine triphosphate tetrasodium
