Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04370"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"S-sulphocysteine"
|
| rdf:type | |
| owl:sameAs | |
| drugbank:description |
"
1637-71-4
experimental
Pierre M. Bore, Jean-Claude Arnaud, "Keratin polymer containing S-sulphocysteine residues, process for its preparation and the compositions containing it." U.S. Patent US4948876, issued May, 1981.
This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Alpha Amino Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Organic Sulfites
Polyamines
Enolates
Carboxylic Acids
Monoalkylamines
organic sulfite
enolate
carboxylic acid
polyamine
primary amine
amine
primary aliphatic amine
organonitrogen compound
Cysteine-S-sulfate
Cysteine-S-sulfonate
Cysteine-S-Sulfonic Acid
Cysteinyl-S-sulfonate
Cysteinyl-S-sulfonic acid
L-Cysteine S-sulfate
S-Sulfo-L-cysteine
S-Sulfocysteine
logP
-2.3
ALOGPS
logS
-0.57
ALOGPS
Water Solubility
5.38e+01 g/l
ALOGPS
logP
-2.3
ChemAxon
IUPAC Name
(2R)-2-amino-3-(sulfosulfanyl)propanoic acid
ChemAxon
Traditional IUPAC Name
S-sulphocysteine
ChemAxon
Molecular Weight
201.221
ChemAxon
Monoisotopic Weight
200.976563719
ChemAxon
SMILES
N[C@@H](CSS(O)(=O)=O)C(O)=O
ChemAxon
Molecular Formula
C3H7NO5S2
ChemAxon
InChI
InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
ChemAxon
InChIKey
InChIKey=NOKPBJYHPHHWAN-REOHCLBHSA-N
ChemAxon
Polar Surface Area (PSA)
117.69
ChemAxon
Refractivity
38.64
ChemAxon
Polarizability
16.76
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
-1.9
ChemAxon
pKa (strongest basic)
8.99
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
115015
PubChem Substance
46505164
KEGG Compound
C05824
BindingDB
50269414
PDB
CSU
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object