Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02172"

PredicateValue (sorted: default)
rdfs:label
"2,5-Dideoxy-2,5-Imino-D-Glucitol"
rdf:type
drugbank:description
" experimental This compound belongs to the pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-member saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. Pyrrolidines Organic Compounds Heterocyclic Compounds Pyrrolidines Secondary Alcohols 1,2-Diols 1,2-Aminoalcohols Dialkylamines Primary Alcohols Polyamines 1,2-aminoalcohol 1,2-diol secondary alcohol secondary amine secondary aliphatic amine polyamine primary alcohol alcohol amine organonitrogen compound logP -2 ALOGPS logS 0.3 ALOGPS Water Solubility 3.23e+02 g/l ALOGPS logP -2.9 ChemAxon IUPAC Name (2S,3S,4S,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol ChemAxon Traditional IUPAC Name (2S,3S,4S,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol ChemAxon Molecular Weight 163.1717 ChemAxon Monoisotopic Weight 163.084457909 ChemAxon SMILES OC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O ChemAxon Molecular Formula C6H13NO4 ChemAxon InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m0/s1 ChemAxon InChIKey InChIKey=PFYHYHZGDNWFIF-BXKVDMCESA-N ChemAxon Polar Surface Area (PSA) 92.95 ChemAxon Refractivity 36.57 ChemAxon Polarizability 15.9 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 13.18 ChemAxon pKa (strongest basic) 8.88 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 11073745 PubChem Substance 46507754 ChemSpider 1428 PDB DIG BE0001220 Xylose isomerase Arthrobacter sp. (strain NRRL B3728) # 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 Xylose isomerase Carbohydrate transport and metabolism D-xylose = D-xylulose xylA Cytoplasm None 4.73 43292.0 Arthrobacter sp. (strain NRRL B3728) GenBank Gene Database X59466 GenBank Protein Database 39059 UniProtKB P12070 UniProt Accession XYLA_ARTS7 EC 5.3.1.5 >Xylose isomerase MSVQPTPADHFTFGLWTVGWTGADPFGVATRKNLDPVEAVHKLAELGAYGITFHDNDLIP FDATEAEREKILGDFNQALKDTGLKVPMVTTNLFSHPVFKDGGFTSNDRSIRRFALAKVL HNIDLAAEMGAETFVMWGGREGSEYDGSKDLAAALDRMREGVDTAAGYIKDKGYNLRIAL EPKPNEPRGDIFLPTVGHGLAFIEQLEHGDIVGLNPETGHEQMAGLNFTHGIAQALWAEK LFHIDLNGQRGIKYDQDLVFGHGDLTSAFFTVDLLENGFPNGGPKYTGPRHFDYKPSRTD GYDGVWDSAKANMSMYLLLKERALAFRADPEVQEAMKTSGVFELGETTLNAGESAADLMN DSASFAGFDAEAAAERNFAFIRLNQLAIEHLLGSR >1188 bp ATGAGCGTTCAGCCGACCCCTGCAGACCACTTCACCTTTGGCCTCTGGACCGTAGGATGG ACCGGCGCCGACCCATTCGGTGTCGCCACCCGCAAGAACCTGGACCCGGTAGAAGCCGTC CACAAGCTGGCCGAGCTCGGCGCCTACGGCATCACCTTCCACGACAATGACCTGATTCCT TTTGACGCCACCGAGGCAGAGCGCGAAAAGATCCTTGGTGACTTCAACCAGGCGCTGAAG GACACCGGCCTGAAGGTCCCAATGGTGACCACCAACCTGTTCAGCCACCCGGTCTTCAAG GACGGCGGCTTCACCTCTAACGACCGCTCGATCCGTCGTTTTGCACTGGCTAAGGTCCTG CACAACATCGACTTGGCAGCCGAGATGGGCGCCGAAACCTTCGTCATGTGGGGCGGGCGC GAAGGCAGCGAATACGACGGTTCCAAGGACCTGGCCGCAGCACTTGATCGCATGCGCGAA GGCGTGGACACGGCAGCTGGCTACATCAAGGACAAGGGTTACAACCTGCGCATCGCGCTG GAGCCAAAGCCAAATGAACCACGCGGCGACATCTTCCTGCCTACCGTCGGCCACGGCCTG GCCTTCATCGAGCAGCTGGAGCACGGCGACATCGTCGGCCTGAACCCAGAAACCGGCCAC GAGCAGATGGCCGGCCTGAACTTCACCCACGGCATCGCTCAGGCACTGTGGGCCGAGAAG CTGTTCCACATTGACCTCAACGGCCAGCGCGGCATCAAGTACGACCAGGACCTGGTCTTC GGCCACGGCGATCTGACCAGCGCGTTCTTCACCGTAGACCTGCTGGAAAACGGCTTCCCT AACGGCGGACCAAAGTACACCGGCCCACGCCACTTCGACTACAAGCCATCGCGCACCGAC GGCTACGACGGCGTGTGGGACTCGGCCAAGGCCAACATGTCCATGTACCTGCTGCTCAAG GAACGTGCCCTGGCCTTCCGTGCGGATCCAGAGGTACAGGAAGCCATGAAGACCTCGGGC GTCTTCGAACTGGGCGAAACCACCCTGAACGCCGGGGAAAGCGCAGCGGATCTGATGAAT GATTCCGCGAGCTTCGCAGGCTTTGACGCCGAGGCCGCCGCAGAGCGCAACTTCGCGTTC ATCCGCCTGAACCAGCTGGCCATCGAGCACCTGCTCGGCTCCCGCTAA PF01261 AP_endonuc_2 function catalytic activity function isomerase activity function intramolecular oxidoreductase activity function intramolecular oxidoreductase activity, interconverting aldoses and ketoses function xylose isomerase activity process physiological process process metabolism process macromolecule metabolism process carbohydrate metabolism "
owl:sameAs

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