Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01794"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"bis(molybdopterin)tungsten cofactor"
|
| owl:sameAs | |
| drugbank:description |
"
experimental
tungsten-molybdopterin
W-molybdopterin cofactor
logP
-3.1
ChemAxon
IUPAC Name
magnesium(2+) ion bis([(5aS,8S,9aS)-2-amino-4-oxo-8-[(phosphonatooxy)methyl]-6-sulfanidyl-1H,4H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-7-yl]sulfanide) tungsten
ChemAxon
Traditional IUPAC Name
magnesium bis([(5aS,8S,9aS)-2-amino-4-oxo-8-[(phosphonatooxy)methyl]-6-sulfanidyl-1H,5H,5aH,8H,9aH,10H-pyrano[3,2-g]pteridin-7-yl]sulfanide) tungsten
ChemAxon
Molecular Weight
990.79
ChemAxon
Monoisotopic Weight
989.897996389
ChemAxon
SMILES
[Mg++].[W].NC1=NC(=O)C2=C(N[C@H]3O[C@@H](COP([O-])([O-])=O)C([S-])=C([S-])[C@H]3N2)N1.NC1=NC(=O)C2=C(N[C@H]3O[C@@H](COP([O-])([O-])=O)C([S-])=C([S-])[C@H]3N2)N1
ChemAxon
Molecular Formula
C20H20MgN10O12P2S4W
ChemAxon
InChI
InChI=1S/2C10H14N5O6PS2.Mg.W/c2*11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;/h2*2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;/q;;+2;/p-8/t2*2-,3+,9-;;/m00../s1
ChemAxon
InChIKey
InChIKey=DMQGNSGNJQBKMK-QPNRVYIWSA-F
ChemAxon
Polar Surface Area (PSA)
173.19
ChemAxon
Refractivity
98.01
ChemAxon
Polarizability
33.73
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.2
ChemAxon
pKa (strongest basic)
3.13
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
6
ChemAxon
Bioavailability
1
ChemAxon
MDDR-Like Rule
true
ChemAxon
ChEBI
30402
PubChem Compound
46936218
PubChem Substance
46506611
ChemSpider
4573846
PDB
PTT
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object