{"ymdb_id":"YMDB00659","created_at":"2011-05-29T18:41:10.000Z","updated_at":"2016-09-08T18:35:44.000Z","name":"2'-Deoxyinosine","cas":"890-38-0","state":"Solid","melting_point":"250 oC","description":"2'-Deoxyinosine is a nucleoside found in DNA. It is an intermediate in the purine deoxyribonucleosides degradation pathway. [Biocyc PWY0-1297]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"-1.71 [FORD,H ET AL. (1991)]","location":"extracellular;cytoplasm","synthesis_reference":"Robins, Morris J.; Basom, Gerald L. Nucleic acid-related compounds. 8. Direct conversion of 2'-deoxyinosine to 9-(2-deoxy-b-D-erythro-pentofuranosyl)-6-chloropurine and selected 6-substituted deoxynucleosides and their evaluation as substrates of adenosin","chebi_id":"28997","hmdb_id":"HMDB00071","kegg_id":"C01344","pubchem_id":"65058","cs_id":"23512072","foodb_id":null,"wikipedia_link":null,"biocyc_id":"DEOXYINOSINE","iupac":"9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol","traditional_iupac":"2'-deoxy-inosine","logp":"-0.6649651763333334","pka":"13.889081575302495","alogps_solubility":"1.01e+01 g/l","alogps_logp":"-1.67","alogps_logs":"-1.40","acceptor_count":"7","donor_count":"3","rotatable_bond_count":"2","polar_surface_area":"113.52","refractivity":"58.96539999999999","polarizability":"23.69386736747174","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.10182461793317621","pka_strongest_acidic":"11.675326207558905","bioavailability":"1","number_of_rings":"3","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-deoxyinosine 5-diphosphate","2-deoxyinosine-5-diphosphate","2'-Deoxyinosine 5'-diphosphate","2'-Deoxyinosine-5'-diphosphate","2deoxy-Inosine","9-(2-deoxy-b-D-erythro-pentofuranosyl)-Hypoxanthine","9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol","9-(2-deoxy-beta-D-erythro-pentofuranosyl)-Hypoxanthine","9-(2-deoxy-beta-delta-erythro-pentofuranosyl)-Hypoxanthine","d-Ino","delta-Ino","Deoxyinosine","dIDP","Hypoxanthine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-","Inosine, 2'-deoxy-"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"growth_conditions":[],"references":[{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."}],"proteins":[{"created_at":"2011-05-24T20:49:32.000Z","updated_at":"2011-07-22T17:54:36.000Z","name":"Purine nucleoside phosphorylase","uniprot_id":"Q05788","uniprot_name":"PNPH_YEAST","enzyme":true,"transporter":false,"gene_name":"PNP1","num_residues":311,"molecular_weight":"33754.60156","theoretical_pi":"7.31","general_function":"Involved in purine-nucleoside phosphorylase activity","specific_function":"Cleavage of guanosine or inosine to respective bases and sugar-1-phosphate molecules","reactions":[{"id":1447,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1915,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1916,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1917,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1918,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1919,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1920,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1921,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2012,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2349,"direction":"\u003e","locations":null,"altext":"Purine 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process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"},{"category":"Process","description":" nucleoside metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"}],"pfams":[{"name":"PNP_UDP_1","identifier":"PF01048"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Pyrimidine metabolism","kegg_map_id":"00240"},{"name":"Nicotinate and nicotinamide 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deaminase","uniprot_id":"P53909","uniprot_name":"ADA_YEAST","enzyme":true,"transporter":false,"gene_name":"AAH1","num_residues":347,"molecular_weight":"39634.69922","theoretical_pi":"5.07","general_function":"Involved in deaminase activity","specific_function":"Adenosine + H(2)O = inosine + NH(3)","reactions":[{"id":1266,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1268,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1440,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2446,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"Adenosine + H(2)O = inosine + NH(3).","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":"Z46843","genbank_protein_id":"854497","gene_card_id":"AAH1","chromosome_location":"chromosome 14","locus":"YNL141W","synonyms":["Adenosine aminohydrolase"],"enzyme_classes":["3.5.4.4","3.5.4.2"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" adenosine deaminase activity"},{"category":"Function","description":" deaminase activity"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide biosynthetic process"},{"category":"Process","description":" purine nucleoside monophosphate biosynthetic process"},{"category":"Process","description":" purine ribonucleoside monophosphate biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"}],"pfams":[{"name":"A_deaminase","identifier":"PF00962"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGGTTTCTGTGGAGTTTTTACAGGAGTTACCAAAATGTGAGCATCACTTGCATTTGGAAGGTACTCTAGAACCTGACCTATTGTTCCCATTAGCTAAAAGAAACGATATAATTCTACCTGAAGGTTTTCCTAAATCGGTCGAGGAATTAAACGAAAAGTATAAGAAGTTTCGTGATCTGCAGGATTTCTTAGATTACTATTATATTGGTACTAATGTCTTGATTAGTGAACAAGATTTCTTTGATTTGGCGTGGGCCTATTTTAAAAAAGTTCACAAACAAGGCTTGGTCCATGCTGAAGTGTTTTACGACCCTCAGTCACATACATCTAGGGGCATCTCCATAGAAACAGTCACTAAAGGTTTCCAAAGAGCTTGTGACAAAGCCTTCTCTGAATTTGGTATTACATCCAAGCTAATTATGTGTCTGTTAAGACACATTGAACCAGAGGAATGTTTGAAAACTATCGAAGAAGCTACCCCATTTATTAAAGATGGTACTATCTCTGCCTTAGGATTAGATTCTGCTGAGAAACCATTTCCCCCACATTTATTTGTTGAATGTTACGGAAAGGCCGCCTCATTGAATAAAGATTTAAAACTAACTGCACACGCAGGTGAAGAAGGCCCCGCTCAATTCGTCTCGGATGCTTTAGACTTGTTGCAAGTAACAAGAATCGATCACGGTATCAACAGTCAATACGACGAGGAGTTATTGGATAGGTTGTCGCGCGACCAGACCATGCTAACTATTTGTCCTCTCTCCAACGTGAAGCTACAAGTAGTCCAATCCGTTTCAGAGTTACCACTACAAAAGTTTCTTGACAGAGATGTTCCATTTTCTTTAAATTCTGATGACCCCGCCTATTTTGGTGGTTATATCTTAGATGTCTACACTCAAGTTTCGAAAGATTTCCCACACTGGGACCATGAAACATGGGGTCGTATCGCTAAGAACGCCATTAAAGGTTCATGGTGTGACGATAAAAGAAAGAACGGTTTGTTAAGTAGAGTGGACGAAGTAGTCACTAAATATTCGCATTAG","protein_sequence":"MVSVEFLQELPKCEHHLHLEGTLEPDLLFPLAKRNDIILPEGFPKSVEELNEKYKKFRDLQDFLDYYYIGTNVLISEQDFFDLAWAYFKKVHKQGLVHAEVFYDPQSHTSRGISIETVTKGFQRACDKAFSEFGITSKLIMCLLRHIEPEECLKTIEEATPFIKDGTISALGLDSAEKPFPPHLFVECYGKAASLNKDLKLTAHAGEEGPAQFVSDALDLLQVTRIDHGINSQYDEELLDRLSRDQTMLTICPLSNVKLQVVQSVSELPLQKFLDRDVPFSLNSDDPAYFGGYILDVYTQVSKDFPHWDHETWGRIAKNAIKGSWCDDKRKNGLLSRVDEVVTKYSH"}]}