1.0 2011-09-21 00:25:20 UTC 2015-07-21 06:57:32 UTC FDB023146 Inosine 5'-diphosphate An inosine nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. [HMDB] 5'-IDP IDP Inosine 5'-(trihydrogen diate) Inosine 5'-(trihydrogen diphosphate) Inosine 5'-(trihydrogen pyroate) Inosine 5'-(trihydrogen pyrophosphate) Inosine 5'-diate Inosine 5'-diphosphate Inosine 5'-pyroate Inosine 5'-pyrophosphate Inosine diate Inosine diphosphate Inosine pyroate Inosine pyrophosphate Riboxin C10H14N4O11P2 428.1859 428.013430334 [({[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid {[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid 86-04-4 O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(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,11,12,17)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1 JPXZQMKKFWMMGK-VTHZCTBJSA-N belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. Purine ribonucleoside diphosphates Organic compounds Nucleosides, nucleotides, and analogues Purine nucleotides Purine ribonucleotides Aromatic heteropolycyclic compounds 1,2-diols 6-oxopurines Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines Monoalkyl phosphates Monosaccharide phosphates N-substituted imidazoles Organic oxides Organic pyrophosphates 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 Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Purine Purine ribonucleoside diphosphate Purine ribonucleoside monophosphate Pyrimidine Pyrimidone Secondary alcohol Tetrahydrofuran Vinylogous amide Solid logp -0.99 ALOGPS logs -2.00 ALOGPS solubility 4.26e+00 g/l ALOGPS logp -3.6 ChemAxon pka_strongest_acidic 2.65 ChemAxon pka_strongest_basic 1.73 ChemAxon iupac [({[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid ChemAxon average_mass 428.1859 ChemAxon mono_mass 428.013430334 ChemAxon smiles O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O ChemAxon formula C10H14N4O11P2 ChemAxon inchi InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(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,11,12,17)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1 ChemAxon inchikey JPXZQMKKFWMMGK-VTHZCTBJSA-N ChemAxon polar_surface_area 222.26 ChemAxon refractivity 82.64 ChemAxon polarizability 33.75 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Purine Metabolism SMP00050 map00230 Specdb::CMs 12469 Specdb::CMs 38574 Specdb::CMs 152384 Specdb::MsMs 24977 Specdb::MsMs 24978 Specdb::MsMs 24979 Specdb::MsMs 31535 Specdb::MsMs 31536 Specdb::MsMs 31537 Specdb::MsMs 2294628 Specdb::MsMs 2294629 Specdb::MsMs 2294630 Specdb::MsMs 2641573 Specdb::MsMs 2641574 Specdb::MsMs 2641575 Specdb::NmrOneD 135610 Specdb::NmrOneD 135611 Specdb::NmrOneD 135612 Specdb::NmrOneD 135613 Specdb::NmrOneD 135614 Specdb::NmrOneD 135615 Specdb::NmrOneD 135616 Specdb::NmrOneD 135617 Specdb::NmrOneD 135618 Specdb::NmrOneD 135619 Specdb::NmrOneD 135620 Specdb::NmrOneD 135621 Specdb::NmrOneD 135622 Specdb::NmrOneD 135623 Specdb::NmrOneD 135624 Specdb::NmrOneD 135625 Specdb::NmrOneD 135626 Specdb::NmrOneD 135627 Specdb::NmrOneD 135628 Specdb::NmrOneD 135629 HMDB03335 17808 #<Reference:0x000055ce3250b850> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 ENTPD4 protein Q8NE73 ENTPD4 Glucokinase P35557 GCK Hexokinase-2 P52789 HK2 Hexokinase-3 P52790 HK3 Uridine-cytidine kinase-like 1 Q9NWZ5 UCKL1