Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03790"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| 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
Sulfones
Sulfoxides
Polyamines
Carboxylic Acids
Enolates
Monoalkylamines
sulfone
sulfonyl
sulfoxide
polyamine
enolate
carboxylic acid
amine
primary amine
primary aliphatic amine
organonitrogen compound
logP
-3.2
ALOGPS
logS
-0.62
ALOGPS
Water Solubility
4.39e+01 g/l
ALOGPS
logP
-4.5
ChemAxon
IUPAC Name
(2R)-2-amino-4-methanesulfonylbutanoic acid
ChemAxon
Traditional IUPAC Name
S-dioxymethionine
ChemAxon
Molecular Weight
181.21
ChemAxon
Monoisotopic Weight
181.040878535
ChemAxon
SMILES
CS(=O)(=O)CC[C@@H](N)C(O)=O
ChemAxon
Molecular Formula
C5H11NO4S
ChemAxon
InChI
InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
ChemAxon
InChIKey
InChIKey=UCUNFLYVYCGDHP-SCSAIBSYSA-N
ChemAxon
Polar Surface Area (PSA)
97.46
ChemAxon
Refractivity
39.1
ChemAxon
Polarizability
16.75
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.55
ChemAxon
pKa (strongest basic)
8.69
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
6997234
PubChem Substance
46507503
PDB
OMT
BE0001988
Catalase
Proteus mirabilis
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
Catalase
Inorganic ion transport and metabolism
Decomposes hydrogen peroxide into water and oxygen; serves to protect cells from the toxic effects of hydrogen peroxide
katA
Cytoplasm
None
6.56
55615.0
Proteus mirabilis
UniProtKB
P42321
UniProt Accession
CATA_PROMI
EC 1.11.1.6
>Catalase
MEKKKLTTAAGAPVVDNNNVITAGPRGPMLLQDVWFLEKLAHFDREVIPERRMHAKGSGA
FGTFTVTHDITKYTRAKIFSEVGKKTEMFARFSTVAGERGAADAERDIRGFALKFYTEEG
NWDMVGNNTPVFYLRDPLKFPDLNHIVKRDPRTNMRNMAYKWDFFSHLPESLHQLTIDMS
DRGLPLSYRFVHGFGSHTYSFINKDNERFWVKFHFRCQQGIKNLMDDEAEALVGKDRESS
QRDLFEAIERGDYPRWKLQIQIMPEKEASTVPYNPFDLTKVWPHADYPLMDVGYFELNRN
PDNYFSDVEQAAFSPANIVPGISFSPDKMLQGRLFSYGDAHRYRLGVNHHQIPVNAPKCP
FHNYHRDGAMRVDGNSGNGITYEPNSGGVFQEQPDFKEPPLSIEGAADHWNHREDEDYFS
QPRALYELLSDDEHQRMFARIAGELSQASKETQQRQIDLFTKVHPEYGAGVEKAIKVLEG
KDAK
PF00199
Catalase
function
antioxidant activity
function
peroxidase activity
function
catalase activity
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
oxygen and reactive oxygen species metabolism
process
response to oxidative stress
process
physiological process
process
metabolism
"
|
| rdfs:label |
"S-Dioxymethionine"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object