Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04562"

No prefix for http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/.
PredicateValue (sorted: none)
owl:sameAs
?:EXPT03105
ns1:description
" experimental This compound belongs to the tricarboxylic acids and derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof). Tricarboxylic Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Tricarboxylic Acids and Derivatives Dicarboxylic Acids and Derivatives Polyols Enolates Polyamines Carboxylic Acids succinic_acid polyol polyamine enolate carboxylic acid logP -0.56 ALOGPS logS -0.67 ALOGPS Water Solubility 3.78e+01 g/l ALOGPS logP -0.73 ChemAxon IUPAC Name propane-1,2,3-tricarboxylic acid ChemAxon Traditional IUPAC Name tricarballylic acid ChemAxon Molecular Weight 176.1241 ChemAxon Monoisotopic Weight 176.032087988 ChemAxon SMILES OC(=O)CC(CC(O)=O)C(O)=O ChemAxon Molecular Formula C6H8O6 ChemAxon InChI InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) ChemAxon InChIKey InChIKey=KQTIIICEAUMSDG-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 111.9 ChemAxon Refractivity 34.38 ChemAxon Polarizability 14.79 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 3.59 ChemAxon Physiological Charge -3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 14925 PubChem Substance 46507955 PDB TRC BE0004504 Aconitate hydratase, mitochondrial Human # 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 # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Aconitate hydratase, mitochondrial ACO2 Human UniProtKB Q99798 UniProt Accession ACON_HUMAN "
rdfs:label
"Tricarballylic Acid"
rdf:type
ns1:drugs

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

The resource does not appear as an object

Context graph