Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02579"

Predicate	Value (sorted: default)
rdfs:label	"Acrylic Acid"
rdf:type	ns1:drugs
ns1:description	" 79-10-7 experimental Walter Denzinger, Heinrich Hartmann, Guenter Hirsch, Hans-Werner Becker, Michael Rohmann, "Preparation of polymers of acrylic acid or metharcylic acid." U.S. Patent US4774303, issued July, 1946. This compound belongs to the enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic Compounds Organooxygen Compounds Carbonyl Compounds Ketones Polyamines Enolates Carboxylic Acids enolate polyamine carboxylic acid carboxylic acid derivative Tissue Adhesives logP 0.46 ALOGPS logS 0.23 ALOGPS Water Solubility 1.23e+02 g/l ALOGPS logP 0.53 ChemAxon IUPAC Name prop-2-enoic acid ChemAxon Traditional IUPAC Name acrylic acid ChemAxon Molecular Weight 72.0627 ChemAxon Monoisotopic Weight 72.021129372 ChemAxon SMILES OC(=O)C=C ChemAxon Molecular Formula C3H4O2 ChemAxon InChI InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) ChemAxon InChIKey InChIKey=NIXOWILDQLNWCW-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 37.3 ChemAxon Refractivity 17.29 ChemAxon Polarizability 6.38 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 4.72 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Water Solubility 1E+006 mg/L RIDDICK,JA ET AL. (1986) Melting Point 13.5 Â°C PhysProp Boiling Point 141.2 Â°C PhysProp logP 0.35 HANSCH,C ET AL. (1995) pKa 4.26 (at 25 Â°C) RIDDICK,JA ET AL. (1986) ChEBI 18308 PubChem Compound 6581 PubChem Substance 46508370 KEGG Compound C00511 ChemSpider 6333 PDB AKR BE0002015 Beta-lactamase SHV-1 Escherichia coli # 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 Beta-lactamase SHV-1 Defense mechanisms A beta-lactam + H(2)O = a substituted beta- amino acid bla Cytoplasmic None 8.08 31224.0 Escherichia coli GenBank Gene Database AF148850 GenBank Protein Database 5002312 UniProtKB P0AD63 UniProt Accession BLA1_ECOLX EC 3.5.2.6 PIT-2 >Beta-lactamase SHV-1 precursor MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADE RFPMMSTFKVVLCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCA AAITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPA SMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVLPAGWFIADKTGAGERGARG IVALLGPNNKAERIVVIYLRDTPASMAERNQQIAGIGAALIEHWQR >861 bp ATGCGTTATATTCGCCTGTGTATTATCTCCCTGTTAGCCACCCTGCCGCTGGCGGTACAC GCCAGCCCGCAGCCGCTTGAGCAAATTAAACTAAGCGAAAGCCAGCTGTCGGGCCGCGTA GGCATGATAGAAATGGATCTGGCCAGCGGCCGCACGCTGACCGCCTGGCGCGCCGATGAA CGCTTTCCCATGATGAGCACCTTTAAAGTAGTGCTCTGCGGCGCAGTGCTGGCGCGGGTG GATGCCGGTGACGAACAGCTGGAGCGAAAGATCCACTATCGCCAGCAGGATCTGGTGGAC TACTCGCCGGTCAGCGAAAAACACCTTGCCGACGGCATGACGGTCGGCGAACTCTGCGCC GCCGCCATTACCATGAGCGATAACAGCGCCGCCAATCTGCTACTGGCCACCGTCGGCGGC CCCGCAGGATTGACTGCCTTTTTGCGCCAGATCGGCGACAACGTCACCCGCCTTGACCGC TGGGAAACGGAACTGAATGAGGCGCTTCCCGGCGACGCCCGCGACACCACTACCCCGGCC AGCATGGCCGCGACCCTGCGCAAGCTGCTGACCAGCCAGCGTCTGAGCGCCCGTTCGCAA CGGCAGCTGCTGCAGTGGATGGTGGACGATCGGGTCGCCGGACCGTTGATCCGCTCCGTG CTGCCGGCGGGCTGGTTTATCGCCGATAAGACCGGAGCTGGCGAGCGGGGTGCGCGCGGG ATTGTCGCCCTGCTTGGCCCGAATAACAAAGCAGAGCGCATTGTGGTGATTTATCTGCGG GATACCCCGGCGAGCATGGCCGAGCGAAATCAGCAAATCGCCGGGATCGGCGCGGCGCTG ATCGAGCACTGGCAACGCTAA PF00144 Beta-lactamase function catalytic activity function beta-lactamase activity function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides process metabolism process drug metabolism process cellular metabolism process antibiotic metabolism process antibiotic catabolism process beta-lactam antibiotic catabolism process response to stimulus process response to abiotic stimulus process response to chemical stimulus process response to drug process response to antibiotic process physiological process "
ns1:drugCategory	?:Tissue Adhesives
owl:sameAs	?:EXPT00484

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt

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