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PredicateValue (sorted: default)
rdfs:label
"2'-Deoxy-Thymidine-Beta-L-Rhamnose"
rdf:type
ns1:drugs
ns1:description
" experimental This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Pyrimidine Nucleotide Sugars Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pyrimidine 2'-deoxyribonucleoside Diphosphates Hexoses Organic Pyrophosphates Pyrimidones Oxanes Organic Phosphoric Acids Hydropyrimidines Organophosphate Esters Tetrahydrofurans Oxolanes Secondary Alcohols 1,2-Diols Ethers Polyamines pyrimidine deoxyribonucleotide hexose monosaccharide organic pyrophosphate pyrimidone phosphoric acid ester organic phosphate hydropyrimidine pyrimidine monosaccharide oxane oxolane tetrahydrofuran secondary alcohol 1,2-diol polyol polyamine ether amine organonitrogen compound alcohol logP -1.1 ALOGPS logS -1.7 ALOGPS Water Solubility 1.16e+01 g/l ALOGPS logP -2.7 ChemAxon IUPAC Name {[hydroxy({[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}({[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphinic acid ChemAxon Traditional IUPAC Name {hydroxy[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphinic acid ChemAxon Molecular Weight 548.3296 ChemAxon Monoisotopic Weight 548.080841196 ChemAxon SMILES C[C@@H]1O[C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@@H](O)[C@H](O)[C@H]1O ChemAxon Molecular Formula C16H26N2O15P2 ChemAxon InChI InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10-,11-,12+,13-,15+/m0/s1 ChemAxon InChIKey InChIKey=ZOSQFDVXNQFKBY-UTCAIGHUSA-N ChemAxon Polar Surface Area (PSA) 251.08 ChemAxon Refractivity 107.76 ChemAxon Polarizability 47.28 ChemAxon Rotatable Bond Count 8 ChemAxon H Bond Acceptor Count 12 ChemAxon H Bond Donor Count 7 ChemAxon pKa (strongest acidic) 1.73 ChemAxon pKa (strongest basic) -3.2 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936769 PubChem Substance 46505764 PDB TRH BE0002493 Glucose-1-phosphate thymidylyltransferase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) unknown Glucose-1-phosphate thymidylyltransferase Involved in glucose-1-phosphate thymidylyltransferase activity rmlA None 5.02 32457.0 Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) GenBank Gene Database AE004091 UniProtKB Q9HU22 UniProt Accession Q9HU22_PSEAE Glucose-1-phosphate thymidyltransferase >Glucose-1-phosphate thymidylyltransferase MKRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDT PRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHE LLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQ QVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIA TLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTETVY >882 bp ATGAAACGCAAGGGCATCATCCTCGCCGGAGGCTCGGGCACCCGCCTGCACCCGGCAACG CTGGCCATCTCCAAGCAGTTGCTGCCGGTGTACGACAAGCCGATGATCTACTACCCGCTC AGTACCCTGATGCTGGCGGGCATCCGCGAGATACTGATCATCTCGACCCCACAGGACACC CCACGCTTCCAGCAGTTGCTGGGCGACGGTTCGAACTGGGGCCTGGACCTGCAATATGCC GTGCAACCGTCGCCGGACGGCCTGGCCCAGGCCTTCCTGATCGGCGAGTCGTTCATCGGC AACGACCTCAGCGCGCTGGTCCTGGGCGACAACCTCTATTACGGCCACGACTTCCACGAG TTGCTCGGCAGCGCTTCGCAGCGCCAGACCGGCGCCAGTGTCTTCGCCTACCACGTGCTG GACCCGGAGCGCTACGGCGTGGTCGAGTTCGACCAGGGCGGCAAGGCCATCAGCCTGGAA GAGAAGCCACTGGAGCCGAAGTCGAACTACGCGGTCACCGGCCTGTATTTCTACGACCAG CAGGTGGTGGACATCGCCAGGGACCTGAAGCCTTCGCCGCGCGGCGAGCTGGAGATCACC GACGTCAACCGCGCCTATCTGGAGCGCGGCCAGCTCAGCGTGGAGATCATGGGCCGCGGC TACGCCTGGCTGGATACCGGCACCCACGATTCGCTGCTCGAGGCCGGCCAGTTCATCGCC ACCCTGGAGAACCGCCAGGGTCTCAAGGTGGCCTGCCCGGAAGAGATCGCCTACCGGCAG AAGTGGATCGACGCCGCGCAACTGGAAAAACTCGCCGCGCCGCTGGCCAAGAACGGCTAC GGCCAATACCTCAAGCGCCTGCTGACCGAGACCGTGTACTGA PF00483 NTP_transferase function transferase activity function transferase activity, transferring phosphorus-containing groups function nucleotidyltransferase activity function glucose-1-phosphate thymidylyltransferase activity function catalytic activity process macromolecule biosynthesis process carbohydrate biosynthesis process polysaccharide biosynthesis process physiological process process extracellular polysaccharide biosynthesis process metabolism process macromolecule metabolism process biosynthesis BE0001971 dTDP-4-dehydrorhamnose reductase Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) # 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 dTDP-4-dehydrorhamnose reductase Cell wall/membrane/envelope biogenesis dTDP-6-deoxy-L-mannose + NADP(+) = dTDP-4- dehydro-6-deoxy-L-mannose + NADPH rfbD None 6.88 32554.0 Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) GenBank Gene Database X56793 UniProtKB P26392 UniProt Accession RMLD_SALTY dTDP-4-keto-L- rhamnose reductase dTDP-6-deoxy-L-mannose dehydrogenase dTDP-L- rhamnose synthetase EC 1.1.1.133 >dTDP-4-dehydrorhamnose reductase MNILLFGKTGQVGWELQRSLAPVGNLIALDVHSKEFCGDFSNPKGVAETVRKLRPDVIVN AAAHTAVDKAESEPELAQLLNATSVEAIAKAANETGAWVVHYSTDYVFPGTGDIPWQETD ATSPLNVYGKTKLAGEKALQDNCPKHLIFRTSWVYAGKGNNFAKTMLRLAKERQTLSVIN DQYGAPTGAELLADCTAHAIRVALNKPEVAGLYHLVAGGTTTWHDYAALVFDEARKAGIT LALTELNAVPTSAYPTPASRPGNSRLNTEKFQRNFDLILPQWELGVKRMLTEMFTTTTI >900 bp ATGAATATCTTACTTTTTGGTAAGACAGGGCAAGTAGGCTGGGAGTTGCAACGTTCTCTG GCACCGGTAGGGAATCTGATTGCCCTGGATGTCCATTCAAAAGAGTTTTGCGGTGATTTT AGTAATCCGAAAGGCGTTGCCGAAACCGTTCGTAAGCTTCGTCCCGATGTGATTGTTAAC GCAGCAGCCCATACTGCAGTAGATAAAGCAGAGTCTGAACCAGAACTGGCGCAGTTACTT AACGCCACCAGTGTGGAAGCCATCGCTAAAGCAGCCAACGAAACTGGCGCATGGGTAGTG CATTATTCAACCGATTATGTATTTCCTGGTACCGGCGATATCCCATGGCAGGAAACGGAC GCTACGTCGCCGCTGAATGTCTATGGCAAAACCAAACTGGCGGGAGAAAAGGCCCTGCAG GATAACTGCCCTAAACACCTTATCTTCCGCACCAGTTGGGTTTATGCAGGTAAGGGCAAT AATTTCGCAAAGACAATGCTTCGTCTGGCGAAAGAGCGTCAGACACTTTCAGTCATTAAC GATCAGTACGGTGCGCCAACCGGTGCGGAATTACTGGCTGACTGTACGGCGCATGCGATC CGTGTGGCGTTAAATAAACCAGAAGTCGCAGGTCTTTACCATCTGGTTGCCGGGGGAACC ACAACCTGGCATGACTACGCGGCCTTAGTCTTTGACGAGGCGCGCAAAGCAGGGATAACG CTTGCGCTGACTGAGCTTAATGCTGTGCCGACCAGCGCCTACCCGACGCCGGCGAGCAGA CCAGGCAATTCGCGTCTCAATACTGAAAAGTTTCAGCGTAATTTTGACCTTATTCTGCCT CAATGGGAATTAGGAGTTAAGCGTATGCTGACTGAAATGTTTACGACGACAACCATCTAA PF04321 RmlD_sub_bind function oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor function dTDP-4-dehydrorhamnose reductase activity function catalytic activity function oxidoreductase activity function oxidoreductase activity, acting on CH-OH group of donors process macromolecule biosynthesis process carbohydrate biosynthesis process polysaccharide biosynthesis process extracellular polysaccharide biosynthesis process physiological process process metabolism process macromolecule metabolism "
owl:sameAs
?:EXPT03108

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