1.0 2016-09-30 22:19:16 UTC 2020-05-21 16:28:54 UTC BMDB0000071 BMDB00071 Deoxyinosine 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol 9-(2-Deoxy-b-D-erythro-pentofuranosyl)-9H-purin-6-ol 9-(2-Deoxy-β-D-erythro-pentofuranosyl)-9H-purin-6-ol 2'-Deoxyinosine 2-Deoxy-inosine 9-(2-Deoxy-b-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one 9-(2-Deoxy-b-D-erythro-pentofuranosyl)-hypoxanthine 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-hypoxanthine 9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one 9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)-hypoxanthine D-Ino delta-Ino DInosine Deoxyribose-inosine Deoxyinosine C10H12N4O4 252.23 252.085854882 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol 2'-deoxy-inosine 890-38-0 OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC2=O InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 VGONTNSXDCQUGY-RRKCRQDMSA-N belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. Purine 2'-deoxyribonucleosides are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Purine 2'-deoxyribonucleosides Purine 2'-deoxyribonucleosides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Hypoxanthines N-substituted imidazoles Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans Alcohol Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Hypoxanthine Imidazole Imidazopyrimidine N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Purine Purine 2'-deoxyribonucleoside Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds purine 2'-deoxyribonucleoside Solid melting_point 250 °C logp -1.71 FORD,H ET AL. (1991) logp -1.67 ALOGPS logs -1.40 ALOGPS logp -0.66 ChemAxon pka_strongest_acidic 11.68 ChemAxon pka_strongest_basic -0.1 ChemAxon iupac 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol ChemAxon average_mass 252.23 ChemAxon mono_mass 252.085854882 ChemAxon smiles OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC2=O ChemAxon formula C10H12N4O4 ChemAxon inchi InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1 ChemAxon inchikey VGONTNSXDCQUGY-RRKCRQDMSA-N ChemAxon polar_surface_area 113.52 ChemAxon refractivity 58.97 ChemAxon polarizability 23.69 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Purine Metabolism SMP0087239 Specdb::EiMs 916 Specdb::MsMs 114 Specdb::MsMs 115 Specdb::MsMs 116 Specdb::MsMs 179040 Specdb::MsMs 179041 Specdb::MsMs 179042 Specdb::MsMs 181365 Specdb::MsMs 181366 Specdb::MsMs 181367 Specdb::MsMs 2698092 Specdb::MsMs 2698093 Specdb::MsMs 2698094 Specdb::MsMs 2984243 Specdb::MsMs 2984244 Specdb::MsMs 2984245 Specdb::CMs 309 Specdb::CMs 310 Specdb::CMs 2027 Specdb::CMs 2877 Specdb::CMs 30423 Specdb::CMs 30424 Specdb::CMs 30981 Specdb::CMs 37280 Specdb::CMs 146686 Specdb::CMs 1049584 Specdb::CMs 1049586 Specdb::CMs 1049588 Specdb::CMs 1049590 Specdb::CMs 1049592 Specdb::CMs 1049593 Specdb::CMs 1049595 Specdb::CMs 1049598 Specdb::CMs 1049599 Specdb::CMs 1049602 Specdb::CMs 1049603 Specdb::NmrOneD 1068 Specdb::NmrOneD 3378 Specdb::NmrOneD 4930 Specdb::NmrOneD 4931 Specdb::NmrOneD 5572 Specdb::NmrOneD 5573 Specdb::NmrOneD 5574 Specdb::NmrOneD 5575 Specdb::NmrOneD 5576 Specdb::NmrOneD 5577 Specdb::NmrOneD 5578 Specdb::NmrOneD 5579 Specdb::NmrOneD 5580 Specdb::NmrOneD 5581 Specdb::NmrOneD 5582 Specdb::NmrOneD 5583 Specdb::NmrOneD 5584 Specdb::NmrOneD 5585 Specdb::NmrOneD 5586 Specdb::NmrOneD 5587 Specdb::NmrOneD 5588 Specdb::NmrOneD 5589 Specdb::NmrOneD 5590 Specdb::NmrOneD 5591 Specdb::NmrTwoD 1126 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C05512 DB02380 FDB012323 58569 65058 28997 45942 3383 DEOXYINOSINE Robins, Morris J.; Basom, Gerald L. Nucleic Acid Related Compounds. 8. Direct Conversion of 2′-Deoxyinosine to 6-Chloropurine 2′-Deoxyriboside and Selected 6-Substituted Deoxynucleosides and Their Evaluation As Substrates of Adenosine Deaminase. Canadian Journal of Chemistry, 1973, 51(19): 3161-3169, https://doi.org/10.1139/v73-471 BMDBP00698 Purine nucleoside phosphorylase P55859 PNP Enzyme BMDBP00839 Adenosine deaminase P56658 ADA Enzyme