1.0 2011-09-21 00:25:28 UTC 2015-07-21 06:57:32 UTC FDB023155 CDP-glucose CDP-glucose is a substrate for Uridine diphosphate glucose pyrophosphatase. [HMDB] CDP-D-Glucose C15H25N3O16P2 565.317 565.071004791 {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid cytidine diphosphate glucose 2906-23-2 NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 CGPHZDRCVSLMCF-JZMIEXBBSA-N belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Pyrimidine nucleotide sugars Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine nucleotide sugars Aromatic heteromonocyclic compounds Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organic pyrophosphates Organopnictogen compounds Oxacyclic compounds Oxanes Pentose phosphates Polyols Primary alcohols Primary amines Pyrimidine ribonucleoside diphosphates Pyrimidones Secondary alcohols Tetrahydrofurans Alcohol Alkyl phosphate Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Imidolactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate N-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Polyol Primary alcohol Primary amine Pyrimidine Pyrimidine nucleotide sugar Pyrimidine ribonucleoside diphosphate Pyrimidone Secondary alcohol Tetrahydrofuran CDP-sugar Solid logp -1.36 ALOGPS logs -1.30 ALOGPS solubility 2.86e+01 g/l ALOGPS logp -5.7 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic -0.58 ChemAxon iupac {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid ChemAxon average_mass 565.317 ChemAxon mono_mass 565.071004791 ChemAxon smiles NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O ChemAxon formula C15H25N3O16P2 ChemAxon inchi InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 ChemAxon inchikey CGPHZDRCVSLMCF-JZMIEXBBSA-N ChemAxon polar_surface_area 300.82 ChemAxon refractivity 108.44 ChemAxon polarizability 45.94 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24433 Specdb::CMs 38585 Specdb::CMs 282118 Specdb::CMs 359026 Specdb::CMs 359027 Specdb::CMs 359028 Specdb::CMs 359029 Specdb::CMs 359030 Specdb::CMs 359031 Specdb::CMs 359032 Specdb::CMs 359033 Specdb::CMs 359034 Specdb::CMs 359035 Specdb::CMs 359036 Specdb::CMs 359037 Specdb::CMs 359038 Specdb::CMs 359039 Specdb::CMs 359040 Specdb::CMs 359041 Specdb::CMs 359042 Specdb::CMs 359043 Specdb::CMs 359044 Specdb::CMs 359045 Specdb::CMs 359046 Specdb::CMs 359047 Specdb::MsMs 320059 Specdb::MsMs 320060 Specdb::MsMs 320061 Specdb::MsMs 367369 Specdb::MsMs 367370 Specdb::MsMs 367371 Specdb::MsMs 2683779 Specdb::MsMs 2683780 Specdb::MsMs 2683781 Specdb::MsMs 3022050 Specdb::MsMs 3022051 Specdb::MsMs 3022052 Specdb::NmrOneD 21482 Specdb::NmrOneD 21483 Specdb::NmrOneD 21484 Specdb::NmrOneD 21485 Specdb::NmrOneD 21486 Specdb::NmrOneD 21487 Specdb::NmrOneD 21488 Specdb::NmrOneD 21489 Specdb::NmrOneD 21490 Specdb::NmrOneD 21491 Specdb::NmrOneD 21492 Specdb::NmrOneD 21493 Specdb::NmrOneD 21494 Specdb::NmrOneD 21495 Specdb::NmrOneD 21496 Specdb::NmrOneD 21497 Specdb::NmrOneD 21498 Specdb::NmrOneD 21499 Specdb::NmrOneD 21500 Specdb::NmrOneD 21501 HMDB03369 28942 C5G #<Reference:0x000055ce321df668> #<Reference:0x000055ce321df4b0> #<Reference:0x000055ce321df2f8> 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