1.0 2016-09-30 22:26:28 UTC 2020-05-21 16:27:08 UTC BMDB0000189 BMDB00189 Inosine triphosphate 2'-Inosine-5'-triphosphate Inosine 5'-triphosphate Inosine tripolyphosphate O(5')-(Tetrahydroxytriphosphoryl)inosine 2'-Inosine-5'-triphosphoric acid Inosine 5'-triphosphoric acid Inosine tripolyphosphoric acid Inosine triphosphoric acid 5'-ITP 5-ITP Inosine 5 Inosine 5'-(tetrahydrogen triphosphate) Inosine 5(tetrahydrogen triphosphate) Inosine 5-triphopshate ITP ITT Triphosphate, inosine Inosine triphosphate C10H15N4O14P3 508.1658 507.979760744 ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid 132-06-9 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 HAEJPQIATWHALX-KQYNXXCUSA-N belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Purine ribonucleoside triphosphates 1,2-diols 6-oxopurines Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Pentose phosphates Purine ribonucleoside monophosphates Pyrimidones Secondary alcohols Tetrahydrofurans Vinylogous amides 1,2-diol 6-oxopurine Alcohol Alkyl phosphate Aromatic heteropolycyclic compound Azacycle Azole Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Purine Purine ribonucleoside monophosphate Purine ribonucleoside triphosphate Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Vinylogous amide Aromatic heteropolycyclic compounds inosine phosphate purine ribonucleoside 5'-triphosphate Solid water_solubility 903.5 mg/mL logp -0.67 ALOGPS logs -2.03 ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 0.91 ChemAxon pka_strongest_basic -0.5 ChemAxon iupac ({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ChemAxon average_mass 508.1658 ChemAxon mono_mass 507.979760744 ChemAxon smiles O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2O ChemAxon formula C10H15N4O14P3 ChemAxon inchi InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 ChemAxon inchikey HAEJPQIATWHALX-KQYNXXCUSA-N ChemAxon polar_surface_area 273.34 ChemAxon refractivity 93.09 ChemAxon polarizability 38.09 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Purine Metabolism SMP0087239 Specdb::NmrTwoD 988 Specdb::NmrTwoD 1194 Specdb::NmrOneD 1160 Specdb::NmrOneD 4912 Specdb::NmrOneD 4913 Specdb::MsMs 298 Specdb::MsMs 299 Specdb::MsMs 300 Specdb::MsMs 180135 Specdb::MsMs 180136 Specdb::MsMs 180137 Specdb::MsMs 182469 Specdb::MsMs 182470 Specdb::MsMs 182471 Specdb::MsMs 2228080 Specdb::MsMs 2231456 Specdb::MsMs 2232759 Specdb::MsMs 2233859 Specdb::MsMs 2234461 Specdb::MsMs 2234478 Specdb::MsMs 2235071 Specdb::MsMs 2253195 Specdb::MsMs 2253285 Specdb::MsMs 2255260 Specdb::MsMs 2255291 Specdb::MsMs 2257225 Specdb::MsMs 2257369 Specdb::MsMs 2259175 Specdb::MsMs 2259375 Specdb::MsMs 2824546 Specdb::CMs 15817 Specdb::CMs 37345 Specdb::CMs 1053663 Specdb::CMs 1053664 Specdb::CMs 1053665 Specdb::CMs 1053666 Specdb::CMs 1053668 Specdb::CMs 1053670 Specdb::CMs 1053672 Specdb::CMs 1053674 Specdb::CMs 1053676 Specdb::CMs 1053678 Specdb::CMs 1053680 Specdb::CMs 1053682 Specdb::CMs 1053684 Specdb::CMs 1053686 Specdb::CMs 1053688 Specdb::CMs 1053690 Specdb::CMs 1053692 Specdb::CMs 1053694 Specdb::CMs 1053696 Specdb::CMs 1053698 Specdb::CMs 1053700 Specdb::CMs 1053701 Specdb::CMs 1053703 Erythrocyte 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 C00081 FDB021902 8583 16039 ITP Inosine triphosphate Nakayama, Kiyoshi; Tanaka, Haruo. Fermentative preparation of inosine di- and triphosphate. Jpn. Tokkyo Koho (1972), 2 pp. BMDBP00156 Ectonucleoside triphosphate diphosphohydrolase 8 A0JND9 ENTPD8 Enzyme BMDBP00432 GMP reductase 2 Q32L93 GMPR2 Enzyme BMDBP00486 Nucleoside diphosphate kinase 7 Q5E9Y9 NME7 Enzyme BMDBP00508 Inosine triphosphate pyrophosphatase Q2KIC5 ITPA Enzyme BMDBP00999 GMP reductase Q08DA2 GMPR Enzyme BMDBP01002 Inosine-5'-monophosphate dehydrogenase 2 Q3SWY3 IMPDH2 Enzyme BMDBP01003 Inosine-5'-monophosphate dehydrogenase 1 A0JNA3 IMPDH1 Enzyme