Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03478"

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PredicateValue (sorted: default)
rdfs:label
"2'-O-Acetyl Adenosine-5-Diphosphoribose"
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ns1:description
" experimental This compound belongs to the purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. Purine Ribonucleoside Diphosphates Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Disaccharide Phosphates Other Disaccharides Organic Pyrophosphates Purines and Purine Derivatives Aminopyrimidines and Derivatives N-substituted Imidazoles Primary Aromatic Amines Organophosphate Esters Organic Phosphoric Acids Tetrahydrofurans Oxolanes Hemiacetals Secondary Alcohols Carboxylic Acid Esters 1,2-Diols Enolates Polyamines pentose disaccharide disaccharide phosphate disaccharide organic pyrophosphate purine imidazopyrimidine aminopyrimidine primary aromatic amine phosphoric acid ester n-substituted imidazole organic phosphate pyrimidine tetrahydrofuran imidazole oxolane azole carboxylic acid ester hemiacetal secondary alcohol 1,2-diol polyamine enolate carboxylic acid derivative ether organonitrogen compound amine primary amine alcohol logP -1.7 ALOGPS logS -2.2 ALOGPS Water Solubility 3.54e+00 g/l ALOGPS logP -6.2 ChemAxon IUPAC Name {[(2R,3R,4S,5S)-4-(acetyloxy)-3,5-dihydroxyoxolan-2-yl]methoxy}[({[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphinic acid ChemAxon Traditional IUPAC Name [(2R,3R,4S,5S)-4-(acetyloxy)-3,5-dihydroxyoxolan-2-yl]methoxy({[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)phosphinic acid ChemAxon Molecular Weight 601.3524 ChemAxon Monoisotopic Weight 601.082238179 ChemAxon SMILES CC(=O)O[C@@H]1[C@@H](O)O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OC[C@@H]2O[C@H]([C@H](O)[C@H]2O)N2C=NC3=C2N=CN=C3N)[C@H]1O ChemAxon Molecular Formula C17H25N5O15P2 ChemAxon InChI InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8+,10-,11+,12+,13-,16+,17-/m0/s1 ChemAxon InChIKey InChIKey=BFNOPXRXIQJDHO-BVNNLCGGSA-N ChemAxon Polar Surface Area (PSA) 297.59 ChemAxon Refractivity 120.27 ChemAxon Polarizability 50.51 ChemAxon Rotatable Bond Count 11 ChemAxon H Bond Acceptor Count 15 ChemAxon H Bond Donor Count 7 ChemAxon pKa (strongest acidic) 1.86 ChemAxon pKa (strongest basic) 5 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 4 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936692 PubChem Substance 46505222 PDB OAD BE0003362 NAD-dependent protein deacylase sirtuin-5, mitochondrial Human # 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 # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown NAD-dependent protein deacylase sirtuin-5, mitochondrial Involved in DNA binding Probable NAD-dependent deacetylase (By similarity) SIRT5 6p23 Cytoplasmic None 8.55 33881.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:14933 GenAtlas SIRT5 GenBank Gene Database AF083110 UniProtKB Q9NXA8 UniProt Accession SIR5_HUMAN EC 3.5.1.- SIR2-like protein 5 >NAD-dependent deacetylase sirtuin-5 MRPLQIVPSRLISQLYCGLKPPASTRNQICLKMARPSSSMADFRKFFAKAKHIVIISGAG VSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRA IAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPI CPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELA HCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTPATNRFRFHFQGPCGTTLPEA LACHENETVS >933 bp ATGCGACCTCTCCAGATTGTCCCAAGTCGATTGATTTCCCAGCTATATTGTGGCCTGAAG CCTCCAGCGTCCACACGAAACCAGATTTGCCTGAAAATGGCTCGGCCAAGTTCAAGTATG GCAGATTTTCGAAAGTTTTTTGCAAAAGCAAAGCACATAGTCATCATCTCAGGAGCTGGT GTTAGTGCAGAAAGTGGTGTTCCGACCTTCAGAGGAGCTGGAGGTTATTGGAGAAAATGG CAAGCCCAGGACCTGGCGACTCCCCTGGCCTTTGCCCACAACCCGTCCCGGGTGTGGGAG TTCTACCACTACCGGCGGGAGGTCATGGGGAGCAAGGAGCCCAACGCCGGGCACCGCGCC ATAGCCGAGTGTGAGACCCGGCTGGGCAAGCAGGGCCGGCGAGTCGTGGTCATCACCCAG AACATCGATGAGCTGCACCGCAAGGCTGGCACCAAGAACCTTCTGGAGATCCATGGTAGC TTATTTAAAACTCGATGTACCTCTTGTGGAGTTGTGGCTGAGAATTACAAGAGTCCAATT TGTCCAGCTTTATCAGGAAAAGGTGCTCCAGAACCTGGAACTCAAGATGCCAGCATCCCA GTTGAGAAACTTCCCCGGTGTGAAGAGGCAGGCTGCGGGGGCTTGCTGCGACCTCACGTC GTGTGGTTTGGAGAAAACCTGGATCCTGCCATTCTGGAGGAGGTTGACAGAGAGCTCGCC CACTGTGATTTATGTCTAGTGGTGGGCACTTCCTCTGTGGTGTACCCAGCAGCCATGTTT GCCCCCCAGGTGGCTGCCAGGGGCGTGCCAGTGGCTGAATTTAACACGGAGACCACCCCA GCTACGAACAGATTCAGGTTTCATTTCCAGGGACCCTGTGGAACGACTCTTCCTGAAGCC CTTGCCTGTCATGAAAATGAAACTGTTTCTTAA PF02146 SIR2 component protein complex component chromatin remodeling complex component chromatin silencing complex function nucleic acid binding function DNA binding function binding process regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism process metabolism process regulation of transcription process cellular metabolism process regulation of transcription, DNA-dependent process gene silencing process chromatin silencing process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process regulation of biological process process regulation of physiological process process regulation of metabolism process regulation of cellular metabolism process physiological process "
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