Compound Summary
ppads
Compound Information
ppads
Compound Name: | ppads |
Compound CID: | 4881 |
Synonyms: | ppads 149017-66-3 Pyridoxal phosphate-6-azophenyl-2,4-disulfonic acid CHEBI:34941 CHEMBL69234 More... |
Iupac Name: | 4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid |
InChI: | InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28) |
InChIKey: | PNFZSRRRZNXSMF-UHFFFAOYSA-N |
Canonical Smiles: | CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O |
Isomeric Smiles: | CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)C=O)O |
Molecular Weight: | 511.4 |
Molecular Formula: | C14H14N3O12PS2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ppads
Molecular Weight: | 511.4 |
Molecular Formula: | C14H14N3O12PS2 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 15 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 32 |
Complexity: | 956 |
Synonyms
ppads
| ppads | ppads |
|---|---|
ppads |
149017-66-3 |
Pyridoxal phosphate-6-azophenyl-2,4-disulfonic acid |
CHEBI:34941 |
CHEMBL69234 |
5-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid |
4-((4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-1,3-benzenedisulfonic acid |
4-(2E)-2-4-Formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidenehydrazinylbenzene-1,3-disulfonic acid |
Lopac0_000978 |
GTPL1725 |
SCHEMBL5287746 |
CHEMBL1437958 |
CHEMBL3305983 |
SCHEMBL13624677 |
BDBM85043 |
DTXSID401019090 |
BDBM50540409 |
ZINC18247107 |
ZINC100001914 |
NSC_6093163 |
NCGC00163313-01 |
1,3-Benzenedisulfonic acid, 4-((4-formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)- |
CAS_149017-66-3 |
L000489 |
Q7120083 |
Pyridoxalphosphate-6-azophenyl-2,4-disulfonic acid |
Q27116327 |
4-({4-formyl-5-hydroxy-6-methyl-3-(phosphonooxy)methylpyridin-2-yl}diazenyl)benzene-1,3-disulfonic acid |
Experimental Data
ppads
| 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
ppads
Statistics Data
ppads
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
ppads
