Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03174"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.
Organic Phosphonic Acids
Organic Compounds
Organophosphorus Compounds
Organic Phosphonic Acids and Derivatives
Organic Phosphonic Acids
Polyamines
Enolates
Aldehydes
enolate
polyamine
aldehyde
logP
-1.1
ALOGPS
logS
-0.73
ALOGPS
Water Solubility
2.32e+01 g/l
ALOGPS
logP
-1.9
ChemAxon
IUPAC Name
(2-oxoethyl)phosphonic acid
ChemAxon
Traditional IUPAC Name
2-oxoethylphosphonic acid
ChemAxon
Molecular Weight
124.0325
ChemAxon
Monoisotopic Weight
123.99254516
ChemAxon
SMILES
OP(O)(=O)CC=O
ChemAxon
Molecular Formula
C2H5O4P
ChemAxon
InChI
InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
ChemAxon
InChIKey
InChIKey=YEMKIGUKNDOZEG-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
74.6
ChemAxon
Refractivity
22.71
ChemAxon
Polarizability
8.75
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.69
ChemAxon
pKa (strongest basic)
-7.3
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
18124
PubChem Compound
490
PubChem Substance
46504576
KEGG Compound
C03167
PDB
POA
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
phosphoric ester hydrolase activity
function
phosphoric monoester hydrolase activity
function
phosphoglycolate phosphatase activity
function
catalytic activity
function
hydrolase activity
function
hydrolase activity, acting on ester bonds
process
physiological process
process
metabolism
"
|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"Phosphonoacetaldehyde"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object