Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02156"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| drugbank:description |
"
98022-26-5
experimental
This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
Alpha Keto-Acids and Derivatives
Organic Compounds
Organic Acids and Derivatives
Keto-Acids and Derivatives
Alpha Keto-Acids and Derivatives
Sulfonyls
Sulfonic Acids
Organic Sulfites
Ketones
Polyamines
Enolates
Carboxylic Acids
Keto Acids and Derivatives
sulfonic acid
sulfonyl
organic sulfite
sulfonic acid derivative
ketone
enolate
carboxylic acid derivative
carboxylic acid
polyamine
carbonyl group
logP
-1.5
ALOGPS
logS
-1.1
ALOGPS
Water Solubility
1.29e+01 g/l
ALOGPS
logP
-0.74
ChemAxon
IUPAC Name
2-oxo-3-sulfopropanoic acid
ChemAxon
Traditional IUPAC Name
sulfopyruvate
ChemAxon
Molecular Weight
168.125
ChemAxon
Monoisotopic Weight
167.97285855
ChemAxon
SMILES
OC(=O)C(=O)CS(O)(=O)=O
ChemAxon
Molecular Formula
C3H4O6S
ChemAxon
InChI
InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)
ChemAxon
InChIKey
InChIKey=BUTHMSUEBYPMKJ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
108.74
ChemAxon
Refractivity
28.33
ChemAxon
Polarizability
12.46
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
-1.8
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
16894
PubChem Compound
440717
PubChem Substance
46508494
KEGG Compound
C05528
ChemSpider
389590
PDB
SPV
"
|
| rdfs:label |
"Sulfopyruvate"
|
| 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