Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07711"

Predicate	Value (sorted: default)
rdfs:label	"(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. Purines and Purine Derivatives Organic Compounds Heterocyclic Compounds Imidazopyrimidines Purines and Purine Derivatives Aminopyrimidines and Derivatives Primary Aromatic Amines N-substituted Imidazoles Secondary Alcohols Polyamines aminopyrimidine pyrimidine primary aromatic amine n-substituted imidazole azole imidazole secondary alcohol polyamine alcohol primary amine amine organonitrogen compound logP 2.1 ALOGPS logS -2.8 ALOGPS Water Solubility 4.40e-01 g/l ALOGPS logP 2.14 ChemAxon IUPAC Name (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol ChemAxon Traditional IUPAC Name (2S,3R)-3-(6-aminopurin-9-yl)nonan-2-ol ChemAxon Molecular Weight 277.3653 ChemAxon Monoisotopic Weight 277.190260383 ChemAxon SMILES [H][C@@](C)(O)[C@@]([H])(CCCCCC)N1C=NC2=C(N)N=CN=C12 ChemAxon Molecular Formula C14H23N5O ChemAxon InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1 ChemAxon InChIKey InChIKey=IOSAAWHGJUZBOG-WDEREUQCSA-N ChemAxon Polar Surface Area (PSA) 89.85 ChemAxon Refractivity 79.55 ChemAxon Polarizability 31.05 ChemAxon Rotatable Bond Count 7 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 14.81 ChemAxon pKa (strongest basic) 5.11 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 149790 PubChem Substance 99444182 ChemSpider 132030 PDB EH9 BE0002214 Adenosine deaminase Human # 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 Adenosine deaminase Replication, recombination and repair Adenosine + H(2)O = inosine + NH(3) ADA 20q12-q13.11 Cytoplasmic None 5.8 40765.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:186 GenAtlas ADA GeneCards ADA GenBank Gene Database X02994 GenBank Protein Database 28380 UniProtKB P00813 UniProt Accession ADA_HUMAN Adenosine aminohydrolase EC 3.5.4.4 >Adenosine deaminase MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPD FLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQA EGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAI DLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGY HTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIF KSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAG QNL >1092 bp ATGGCCCAGACGCCCGCCTTCGACAAGCCCAAAGTAGAACTGCATGTCCACCTAGACGGA TCCATCAAGCCTGAAACCATCTTATACTATGGCAGGAGGAGAGGGATCGCCCTCCCAGCT AACACAGCAGAGGGGCTGCTGAACGTCATTGGCATGGACAAGCCGCTCACCCTTCCAGAC TTCCTGGCCAAGTTTGACTACTACATGCCTGCTATCGCGGGCTGCCGGGAGGCTATCAAA AGGATCGCCTATGAGTTTGTAGAGATGAAGGCCAAAGAGGGCGTGGTGTATGTGGAGGTG CGGTACAGTCCGCACCTGCTGGCCAACTCCAAAGTGGAGCCAATCCCCTGGAACCAGGCT GAAGGGGACCTCACCCCAGACGAGGTGGTGGCCCTAGTGGGCCAGGGCCTGCAGGAGGGG GAGCGAGACTTCGGGGTCAAGGCCCGGTCCATCCTGTGCTGCATGCGCCACCAGCCCAAC TGGTCCCCCAAGGTGGTGGAGCTGTGTAAGAAGTACCAGCAGCAGACCGTGGTGGCCATT GACCTGGCTGGAGATGAGACCATCCCAGGAAGCAGCCTCTTGCCTGGACATGTCCAGGCC TACCAGGAGGCTGTGAAGAGCGGCATTCACCGTACTGTCCACGCCGGGGAGGTGGGCTCG GCCGAAGTAGTAAAAGAGGCTGTGGACATACTCAAGACAGAGCGGCTGGGACACGGCTAC CACACCCTGGAAGACCAGGCCCTTTATAACAGGCTGCGGCAGGAAAACATGCACTTCGAG ATCTGCCCCTGGTCCAGCTACCTCACTGGTGCCTGGAAGCCGGACACGGAGCATGCAGTC ATTCGGCTCAAAAATGACCAGGCTAACTACTCGCTCAACACAGATGACCCGCTCATCTTC AAGTCCACCCTGGACACTGATTACCAGATGACCAAACGGGACATGGGCTTTACTGAAGAG GAGTTTAAAAGGCTGAACATCAATGCGGCCAAATCTAGTTTCCTCCCAGAAGATGAAAAG AGGGAGCTTCTCGACCTGCTCTATAAAGCCTATGGGATGCCACCTTCAGCCTCTGCAGGG CAGAACCTCTGA PF00962 A_deaminase function catalytic activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines function deaminase activity function adenosine deaminase activity function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process purine nucleoside monophosphate biosynthesis process purine ribonucleoside monophosphate biosynthesis process purine nucleotide metabolism process physiological process process purine nucleotide biosynthesis "

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