Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02958"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Selenomethionine Selenoxide"
|
| rdf:type | |
| drugbank:description |
"
experimental
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
Amino Fatty Acids
Polyamines
Selenoethers
Carboxylic Acids
Enolates
Monoalkylamines
Selenoxides
carboxylic acid
polyamine
selenoether
enolate
primary aliphatic amine
primary amine
amine
organoselenium compound
selenoxide group
organonitrogen compound
Ge healthcare
Mallinckrodt inc
Pharmalucence inc
Bracco diagnostics inc
logP
-2.9
ALOGPS
logS
-0.31
ALOGPS
Water Solubility
1.05e+02 g/l
ALOGPS
logP
-4
ChemAxon
IUPAC Name
(2R)-2-amino-4-methaneseleninylbutanoic acid
ChemAxon
Traditional IUPAC Name
(2R)-2-amino-4-methaneseleninylbutanoic acid
ChemAxon
Molecular Weight
212.11
ChemAxon
Monoisotopic Weight
212.990415051
ChemAxon
SMILES
C[Se](=O)CC[C@@H](N)C(O)=O
ChemAxon
Molecular Formula
C5H11NO3Se
ChemAxon
InChI
InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m1/s1
ChemAxon
InChIKey
InChIKey=KGXZPWNBFWCDRF-CQIZIWTCSA-N
ChemAxon
Polar Surface Area (PSA)
80.39
ChemAxon
Refractivity
44.74
ChemAxon
Polarizability
15.94
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.6
ChemAxon
pKa (strongest basic)
9.11
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936538
PubChem Substance
46505728
PDB
MSO
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object