Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02883"

PredicateValue (sorted: default)
rdfs:label
"2',3'-Dideoxycytidine-5'-Monophosphate"
rdf:type
drugbank:description
" experimental This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions. Pyrimidine Deoxyribonucleotides Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pyrimidine 2',3'-dideoxyribonucleoside Monophosphates Pyrimidine Nucleosides and Analogues Aminopyrimidines and Derivatives Pyrimidones Hydropyrimidines Primary Aromatic Amines Organic Phosphoric Acids Organophosphate Esters Tetrahydrofurans Oxolanes Ethers Polyamines aminopyrimidine pyrimidone primary aromatic amine organic phosphate phosphoric acid ester hydropyrimidine pyrimidine tetrahydrofuran oxolane polyamine ether amine primary amine organonitrogen compound logP -1.7 ALOGPS logS -1.4 ALOGPS Water Solubility 1.12e+01 g/l ALOGPS logP -2 ChemAxon IUPAC Name {[(2S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid ChemAxon Traditional IUPAC Name [(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid ChemAxon Molecular Weight 291.1977 ChemAxon Monoisotopic Weight 291.062021707 ChemAxon SMILES NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](COP(O)(O)=O)O1 ChemAxon Molecular Formula C9H14N3O6P ChemAxon InChI InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1 ChemAxon InChIKey InChIKey=RAJMXAZJKUGYGW-POYBYMJQSA-N ChemAxon Polar Surface Area (PSA) 134.68 ChemAxon Refractivity 63.11 ChemAxon Polarizability 25.25 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.34 ChemAxon pKa (strongest basic) 0.011 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 446696 PubChem Substance 46509107 PDB DOC BE0001600 Cytidylate kinase 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 Cytidylate kinase Nucleotide transport and metabolism ATP, dATP, and GTP are equally effective as phosphate donors. CMP and dCMP are the best phosphate acceptors cmk Cytoplasm None 5.65 24747.0 Escherichia coli (strain K12) GenBank Gene Database X00785 GenBank Protein Database 42839 UniProtKB P0A6I0 UniProt Accession KCY_ECOLI CK CMP kinase Cytidine monophosphate kinase EC 2.7.4.14 p25 Protein mssA >Cytidylate kinase MTAIAPVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDAL VPLASHLDVRFVSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAF RELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKE RDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQKLALA >684 bp ATGACGGCAATTGCCCCGGTTATTACCATTGATGGCCCAAGCGGTGCAGGGAAAGGCACC TTGTGTAAGGCTATGGCGGAAGCGTTGCAATGGCATCTGCTGGACTCGGGTGCAATTTAT CGCGTACTGGCATTGGCGGCATTACATCACCATGTTGATGTTGCGTCGGAAGATGCGCTG GTACCGCTGGCATCCCATCTGGATGTACGTTTTGTGTCGACCAATGGCAATCTGGAAGTG ATCCTCGAAGGGGAAGATGTCAGCGGCGAAATTCGTACTCAGGAAGTGGCGAATGCAGCT TCACAAGTCGCGGCATTCCCACGCGTTCGTGAAGCATTATTGCGTCGCCAACGCGCGTTT CGCGAATTACCAGGTCTGATTGCCGATGGCCGCGACATGGGAACGGTGGTATTCCCTGAT GCACCAGTGAAAATTTTCCTTGACGCCTCCTCGGAAGAACGTGCGCATCGCCGCATGCTA CAGTTGCAGGTGAAGGGCTTTAGTGTTAACTTTGAGCGCCTTTTGGCCGAGATCAAAGAA CGCGACGACCGCGATCGTAACCGAGCGGTAGCGCCACTGGTTCCGGCAGCCGATGCTTTA GTGTTGGATTCCACCACCTTAAGCATTGAGCAAGTGATTGAAAAAGCGCTACAATACGCG CGCCAGAAATTGGCTCTCGCATAA PF02224 Cytidylate_kin function purine nucleotide binding function adenyl nucleotide binding function transferase activity function ATP binding function transferase activity, transferring phosphorus-containing groups function binding function kinase activity function catalytic activity function nucleobase, nucleoside, nucleotide kinase activity function nucleotide kinase activity function cytidylate kinase activity function nucleotide binding process physiological process process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process metabolism process cellular metabolism "
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