Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02693"

PredicateValue (sorted: default)
rdfs:label
"(4s,5s)-1,2-Dithiane-4,5-Diol"
rdf:type
drugbank:description
" experimental This compound belongs to the dithianes. These are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. Dithianes Organic Compounds Heterocyclic Compounds Dithianes Secondary Alcohols Organic Disulfides 1,2-Diols Polyamines organic disulfide 1,2-diol secondary alcohol polyamine alcohol logP -0.44 ALOGPS logS -0.33 ALOGPS Water Solubility 7.05e+01 g/l ALOGPS logP -0.59 ChemAxon IUPAC Name (4R,5R)-1,2-dithiane-4,5-diol ChemAxon Traditional IUPAC Name dithiane diol ChemAxon Molecular Weight 152.235 ChemAxon Monoisotopic Weight 151.99657088 ChemAxon SMILES O[C@H]1CSSC[C@@H]1O ChemAxon Molecular Formula C4H8O2S2 ChemAxon InChI InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1 ChemAxon InChIKey InChIKey=YPGMOWHXEQDBBV-IMJSIDKUSA-N ChemAxon Polar Surface Area (PSA) 40.46 ChemAxon Refractivity 37.27 ChemAxon Polarizability 14.2 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 13.48 ChemAxon pKa (strongest basic) -3.3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 32883 PubChem Compound 439407 PubChem Substance 46506792 ChemSpider 25754 PDB D1D BE0001270 6,7-dimethyl-8-ribityllumazine synthase Mycobacterium tuberculosis # 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 6,7-dimethyl-8-ribityllumazine synthase Coenzyme transport and metabolism Riboflavin synthase is a bifunctional enzyme complex catalyzing the formation of riboflavin from 5-amino-6-(1'-D)- ribityl-amino-2,4(1H,3H)-pyrimidinedione and L-3,4-dihydrohy-2- butanone-4-phosphate via 6,7-dimethyl-8-lumazine. The beta subunit catalyzes the condensation of 5-amino-6-(1'-D)-ribityl-amino- 2,4(1H,3H)-pyrimidinedione with L-3,4-dihydrohy-2-butanone-4- phosphate yielding 6,7-dimethyl-8-lumazine ribH None 5.15 16371.0 Mycobacterium tuberculosis GenBank Gene Database BX842576 GenBank Protein Database 1542925 UniProtKB P66034 UniProt Accession RISB_MYCTU DMRL synthase EC 2.5.1.9 Lumazine synthase Riboflavin synthase beta chain >6,7-dimethyl-8-ribityllumazine synthase MKGGAGVPDLPSLDASGVRLAIVASSWHGKICDALLDGARKVAAGCGLDDPTVVRVLGAI EIPVVAQELARNHDAVVALGVVIRGQTPHFDYVCDAVTQGLTRVSLDSSTPIANGVLTTN TEEQALDRAGLPTSAEDKGAQATVAALATALTLRELRAHS >465 bp GTGCCGGATCTGCCGTCGCTGGATGCGTCTGGTGTGCGGCTGGCGATTGTCGCCAGCAGC TGGCACGGAAAGATCTGCGACGCGCTGTTGGACGGCGCCCGCAAGGTGGCCGCCGGGTGT GGCCTCGATGACCCGACTGTGGTTCGGGTGCTCGGCGCGATCGAGATTCCGGTGGTGGCG CAGGAATTGGCCCGCAATCATGATGCCGTCGTCGCACTTGGCGTCGTGATCCGCGGTCAG ACACCACATTTCGACTACGTGTGCGATGCGGTAACCCAGGGACTGACCCGGGTATCGCTG GATTCCTCGACGCCGATCGCCAACGGCGTGCTGACCACCAACACCGAGGAGCAGGCGCTG GATCGGGCGGGGCTACCGACGTCGGCCGAGGACAAGGGCGCCCAGGCGACTGTGGCAGCC CTGGCCACCGCGTTGACCCTGCGCGAGCTGCGCGCTCACTCGTGA PF00885 DMRL_synthase component protein complex component unlocalized protein complex component riboflavin synthase complex function transferase activity, transferring alkyl or aryl (other than methyl) groups function catalytic activity function riboflavin synthase activity function transferase activity process vitamin metabolism process water-soluble vitamin metabolism process riboflavin and derivative metabolism process physiological process process riboflavin metabolism process riboflavin biosynthesis process metabolism process cellular metabolism "
owl:sameAs

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