Compound Summary
Compound Information
Thio-NADP sodium
Compound Name: | Thio-NADP sodium |
Compound CID: | 11957709 |
Synonyms: | Thio-NADP sodium HMS3263N17 CCG-222492 LP01188 EU-0101188 More... |
Iupac Name: | sodium;[(2R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2S,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate |
InChI: | InChI=1S/C21H28N7O16P3S.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48);/q;+1/p-1/t10-,11+,13?,14-,15?,16?,20+,21+;/m0./s1 |
InChIKey: | RFGBSJGYGUYCBT-ZCWSRCCSSA-M |
Canonical Smiles: | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)[O-])O)O)O)C(=S)N.[Na+] |
Isomeric Smiles: | C1=CC(=C[N+](=C1)[C@H]2C(C([C@@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@@H](C([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)[O-])O)O)O)C(=S)N.[Na+] |
Molecular Weight: | 781.5 |
Molecular Formula: | C21H27N7NaO16P3S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Thio-NADP sodium
Molecular Weight: | 781.5 |
Molecular Formula: | C21H27N7NaO16P3S |
Hydrogen Bond Donor Count: | 7 |
Hydrogen Bond Acceptor Count: | 21 |
Rotatable Bond Count: | 13 |
Heavy Atom Count: | 49 |
Complexity: | 1300 |
Synonyms
Thio-NADP sodium
| Thio-NADP sodium | Thio-NADP sodium |
|---|---|
Thio-NADP sodium |
HMS3263N17 |
CCG-222492 |
LP01188 |
EU-0101188 |
T 5515 |
Thionicotinamide adenine dinucleotide phosphate sodium |
Experimental Data
Thio-NADP sodium
| 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 | -2 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Thio-NADP sodium
Statistics Data
Thio-NADP sodium
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2 | 1 | 1 |
Statistics Data Visualization
Thio-NADP sodium
