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PredicateValue (sorted: none)
rdf:type
ns1:drugs
owl:sameAs
?:EXPT01611
rdfs:label
"2,3-Dihydroxy-5-Oxo-Hexanedioate"
ns1:description
" experimental This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group. Sugar Acids and Derivatives Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Sugar Acids and Derivatives Hexoses Medium-chain Hydroxy Acids and Derivatives Medium-chain Keto Acids and Derivatives Beta Hydroxy Acids and Derivatives Alpha Keto-Acids and Derivatives Dicarboxylic Acids and Derivatives Fatty Acids and Conjugates Secondary Alcohols 1,2-Diols Ketones Carboxylic Acid Salts Enolates Polyamines Aldehydes Keto Acids and Derivatives keto acid hydroxy acid monosaccharide dicarboxylic acid derivative alpha-keto acid 1,2-diol secondary alcohol ketone polyamine enolate carboxylic acid salt carboxylic acid derivative carbonyl group alcohol aldehyde logP -1.4 ALOGPS logS 0.06 ALOGPS Water Solubility 2.62e+02 g/l ALOGPS logP -1.5 ChemAxon IUPAC Name (2R,3S)-2,3-dihydroxy-5-oxohexanedioate ChemAxon Traditional IUPAC Name (2R,3S)-2,3-dihydroxy-5-oxohexanedioate ChemAxon Molecular Weight 190.1076 ChemAxon Monoisotopic Weight 190.011352546 ChemAxon SMILES O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O ChemAxon Molecular Formula C6H6O7 ChemAxon InChI InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1 ChemAxon InChIKey InChIKey=QUURPCHWPQNNGL-ZAFYKAAXSA-L ChemAxon Polar Surface Area (PSA) 137.79 ChemAxon Refractivity 57.86 ChemAxon Polarizability 14.69 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 2.5 ChemAxon pKa (strongest basic) -3.3 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 42819 PubChem Compound 5288442 PubChem Substance 46506322 PDB GLR BE0002036 Glucarate dehydratase Escherichia coli (strain K12) # 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 Glucarate dehydratase Cell wall/membrane/envelope biogenesis Catalyzes the dehydration of glucarate to 5-keto-4- deoxy-D-glucarate (5-kdGluc). Also acts on L-idarate gudD None 5.99 49142.0 Escherichia coli (strain K12) GenBank Gene Database U00096 GenBank Protein Database 1786182 UniProtKB P0AES2 UniProt Accession GUDD_ECOLI EC 4.2.1.40 GDH GlucD >Glucarate dehydratase MSSQFTTPVVTEMQVIPVAGHDSMLMNLSGAHAPFFTRNIVIIKDNSGHTGVGEIPGGEK IRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAM LDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHE EAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAW SLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGH TLSLQSVDIPLADPHFWTMQGSVRVAQMCHEFGLTWGSHSNNHFDISLAMFTHVAAAAPG KITAIDTHWIWQEGNQRLTKEPFEIKGGLVQVPEKPGLGVEIDMDQVMKAHELYQKHGLG ARDDAMGMQYLIPGWTFDNKRPCMVR >1341 bp TTAACGCACCATGCACGGGCGCTTGTTATCGAACGTCCAGCCAGGAATCAGATACTGCAT TCCCATCGCATCGTCACGCGCGCCAAGCCCGTGTTTCTGATACAGCTCATGGGCTTTCAT CACTTGATCCATATCGATTTCTACACCCAGCCCCGGTTTTTCTGGCACCTGTACCAGCCC GCCTTTGATCTCAAACGGTTCTTTGGTCAGGCGCTGATTGCCTTCCTGCCAAATCCAGTG CGTATCAATAGCAGTAATTTTACCCGGTGCAGCGGCGGCAACATGGGTAAACATCGCCAG GGAAATATCGAAGTGGTTGTTAGAGTGTGAACCCCAGGTCAGGCCAAATTCATGGCACAT TTGCGCCACACGTACCGAACCTTGCATTGTCCAGAAATGCGGATCCGCCAGCGGGATATC AACGGATTGCAGGGAGAGCGTATGGCCCATTTGCCGCCAGTCGGTGGCGATCATATTGGT TGCAGTCGGTAGACCTGTCGCGCGACGGAACTCTGCCATCACTTCACGCCCGGAGAAACC TTGCTCCGCACCACACGGATCTTCTGCATAAGCCAGCGAACCTTTCAGGTATTTACCGAT TTTAATCGCTTCGTTCAGCGACCAGGCACCGTTAGGATCGAGCGTAATACGCGCCTGCGG GAAGCGTTGCGCCAGTGCCACAATAGACTCGGCCTCTTCTTCCCCGGCCAGTACACCGCC CTTCAGTTTGAAATCGTTGAAGCCATATTTTTCATATGCCGCTTCCGCCAGGCGCACCAC CGCATCCGGCGTCATCGCTTCTTCATGACGCAGGCGATACCAGTCGCATGAGTCATCCGG CTGGCTTTGATACGGCAGCGGCGTGGCTTTGCGATTACCGACGAAGAACAGATAACCGAG CATTTCGACTTCGCTACGCTGTTGACCATCGCCCAGCAGCGATGCCACGTTTACCCCCAG ATGCTGCCCCAGCAGATCCAGCATTGCCGCTTCTATCCCGGTAACTACATGAATAGTGGT ACGTAGGTCAAATGTCTGCAAACCGCGCCCACCAGCATCACGATCGGCAAAAGTATTACG CACCAGCGTCAGAACGTTTTTGTATTCACCCAGCGTTTTACCTACCACCAGCGGAATCGC ATCTTCCAGCGTTTTACGGATTTTCTCGCCGCCGGGAATTTCCCCTACGCCAGTGTGACC AGAATTATCTTTGATAATCACAATATTACGCGTAAAGAACGGTGCGTGTGCACCACTCAG ATTCATCAGCATACTGTCATGACCCGCCACCGGGATAACCTGCATTTCAGTAACAACAGG CGTCGTAAATTGAGAACTCAT PF01188 MR_MLE function catalytic activity process physiological process process metabolism "

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

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