Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04359"
| Predicate | Value (sorted: none) |
|---|---|
| ns1:description |
"
experimental
This compound belongs to the sulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R ≠H).
Sulfonic Acids
Organic Compounds
Organic Acids and Derivatives
Sulfonic Acids and Derivatives
Sulfonic Acids
Sulfonyls
Organic Sulfites
Polyamines
polyamine
logP
-1.9
ALOGPS
logS
-0.73
ALOGPS
Water Solubility
2.02e+01 g/l
ALOGPS
logP
-0.23
ChemAxon
IUPAC Name
ethenesulfonic acid
ChemAxon
Traditional IUPAC Name
vinylsulphonic acid
ChemAxon
Molecular Weight
108.116
ChemAxon
Monoisotopic Weight
107.988114684
ChemAxon
SMILES
OS(=O)(=O)C=C
ChemAxon
Molecular Formula
C2H4O3S
ChemAxon
InChI
InChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)
ChemAxon
InChIKey
InChIKey=NLVXSWCKKBEXTG-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
54.37
ChemAxon
Refractivity
20.69
ChemAxon
Polarizability
8.59
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
-1.3
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
62474
PubChem Substance
46507963
PDB
VSO
BE0003136
Phosphonoacetaldehyde hydrolase
Bacillus cereus
unknown
Phosphonoacetaldehyde hydrolase
Involved in catalytic activity
Involved in phosphonate degradation
phnX
Cytoplasmic
None
4.5
30060.0
Bacillus cereus
UniProtKB
O31156
UniProt Accession
PHNX_BACCE
EC 3.11.1.1
Phosphonatase
Phosphonoacetaldehyde phosphonohydrolase
>Phosphonoacetaldehyde hydrolase
MKIEAVIFDWAGTTVDYGCFAPLEVFMEIFHKRGVAITAEEARKPMGLLKIDHVRALTEM
PRIASEWNRVFRQLPTEADIQEMYEEFEEILFAILPRYASPINGVKEVIASLRERGIKIG
STTGYTREMMDIVAKEAALQGYKPDFLVTPDDVPAGRPYPWMCYKNAMELGVYPMNHMIK
VGDTVSDMKEGRNAGMWTVGVILGSSELGLTEEEVENMDSVELREKIEVVRNRFVENGAH
FTIETMQELESVMEHIEKQELIIS
PF00702
Hydrolase
function
catalytic activity
function
hydrolase activity
function
hydrolase activity, acting on ester bonds
function
phosphoric ester hydrolase activity
function
phosphoric monoester hydrolase activity
function
phosphoglycolate phosphatase activity
process
physiological process
process
metabolism
"
|
| rdf:type | |
| rdfs:label |
"Vinylsulphonic Acid"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object