Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02688"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| ns1:description |
"
1948-56-7
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
Enones
Enolates
Polyamines
Enamines
Carboxylic Acids
enone
enolate
enamine
carboxylic acid
polyamine
amine
organonitrogen compound
logP
-0.13
ALOGPS
logS
0.43
ALOGPS
Water Solubility
2.33e+02 g/l
ALOGPS
logP
-2.9
ChemAxon
IUPAC Name
2-aminoprop-2-enoic acid
ChemAxon
Traditional IUPAC Name
2,3-didehydroalanine
ChemAxon
Molecular Weight
87.0773
ChemAxon
Monoisotopic Weight
87.032028409
ChemAxon
SMILES
NC(=C)C(O)=O
ChemAxon
Molecular Formula
C3H5NO2
ChemAxon
InChI
InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
ChemAxon
InChIKey
InChIKey=UQBOJOOOTLPNST-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
63.32
ChemAxon
Refractivity
20.92
ChemAxon
Polarizability
7.72
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.58
ChemAxon
pKa (strongest basic)
8.64
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
17123
PubChem Compound
123991
PubChem Substance
46509183
KEGG Compound
C02218
ChemSpider
110510
PDB
DHA
BE0002667
Lantibiotic mersacidin
Bacillus sp. (strain HIL-Y85/54728)
unknown
Lantibiotic mersacidin
Kills a number of Gram-positive bacteria. Acts at the level of cell wall biosynthesis by interfering with bacterial peptidoglycan biosynthesis. Specifically inhibits the conversion of the lipid II intermediate into polymeric nascent glycan strands by transglycosylation. May interact with the peptidoglycan precursor rather than with the enzyme
mrsA
None
4.17
7228.0
Bacillus sp. (strain HIL-Y85/54728)
GenBank Gene Database
Z47559
UniProtKB
P43683
UniProt Accession
MRSA_BACSY
Lantibiotic mersacidin precursor
>Lantibiotic mersacidin
MSQEAIIRSWKDPFSRENSTQNPAGNPFSELKEAQMDKLVGAGDMEAACTFTLPGGGGVC
TLTSECIC
>207 bp
ATGAGTCAAGAAGCTATCATTCGTTCATGGAAAGATCCTTTTTCCCGTGAAAATTCTACA
CAAAATCCAGCTGGTAACCCATTCAGTGAGCTGAAAGAAGCACAAATGGATAAGTTAGTA
GGTGCGGGAGACATGGAAGCAGCATGTACTTTTACATTGCCTGGTGGCGGCGGTGTTTGT
ACTCTAACTTCTGAATGTATTTGTTAA
"
|
| rdfs:label |
"2,3-Didehydroalanine"
|
| 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