1.0 2016-09-30 22:44:13 UTC 2020-04-22 15:07:40 UTC BMDB0001328 BMDB01328 dTDP-D-glucose dTDP-D-Glucose 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. dTDP-D-Glucose is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). dTDP-D-Glucose exists in all living organisms, ranging from bacteria to humans. In cattle, dTDP-D-glucose is involved in a couple of metabolic pathways, which include the nucleotide sugars metabolism pathway and the fructose and mannose degradation pathway. dTDP-delta-Glucose dTDP-Glucose DTDPglucose mono-a-D-Glucopyranosyl ester mono-alpha-D-Glucopyranosyl ester mono-alpha-delta-Glucopyranosyl ester TDP-D-Glucose TDP-delta-Glucose TDP-GLC TDPG Thymidine 5-diphosphate-D-glucose Thymidine 5-diphosphate-delta-glucose C16H26N2O16P2 564.329 564.075755818 {[hydroxy({[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy}({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid dtdp-D-glucose 2196-62-5 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1 YSYKRGRSMLTJNL-KFQCIAAJSA-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. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Pyrimidine nucleotide sugars Pyrimidine nucleotide sugars Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Monoalkyl phosphates Monosaccharide phosphates Organic oxides Organic pyrophosphates Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Pentose phosphates Polyols Primary alcohols Pyrimidine 2'-deoxyribonucleoside diphosphates Pyrimidones Secondary alcohols Tetrahydrofurans Ureas Vinylogous amides Alcohol Alkyl phosphate Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monoalkyl phosphate Monosaccharide Monosaccharide phosphate 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 Phosphoric acid ester Polyol Primary alcohol Pyrimidine Pyrimidine 2'-deoxyribonucleoside diphosphate Pyrimidine nucleotide sugar Pyrimidone Secondary alcohol Tetrahydrofuran Urea Vinylogous amide Aromatic heteromonocyclic compounds dTDP-alpha-D-glucose Solid logp -1.21 ALOGPS logs -1.70 ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic -3 ChemAxon iupac {[hydroxy({[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy}({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid ChemAxon average_mass 564.329 ChemAxon mono_mass 564.075755818 ChemAxon smiles CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)C(=O)NC1=O ChemAxon formula C16H26N2O16P2 ChemAxon inchi InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1 ChemAxon inchikey YSYKRGRSMLTJNL-KFQCIAAJSA-N ChemAxon polar_surface_area 271.31 ChemAxon refractivity 109.3 ChemAxon polarizability 46.61 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -2 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 Specdb::MsMs 25352 Specdb::MsMs 25353 Specdb::MsMs 25354 Specdb::MsMs 31910 Specdb::MsMs 31911 Specdb::MsMs 31912 Specdb::CMs 25749 Specdb::CMs 38025 Specdb::NmrOneD 286015 Specdb::NmrOneD 286016 Specdb::NmrOneD 286017 Specdb::NmrOneD 286018 Specdb::NmrOneD 286019 Specdb::NmrOneD 286020 Specdb::NmrOneD 286021 Specdb::NmrOneD 286022 Specdb::NmrOneD 286023 Specdb::NmrOneD 286024 Specdb::NmrOneD 286025 Specdb::NmrOneD 286026 Specdb::NmrOneD 286027 Specdb::NmrOneD 286028 Specdb::NmrOneD 286029 Specdb::NmrOneD 286030 Specdb::NmrOneD 286031 Specdb::NmrOneD 286032 Specdb::NmrOneD 286033 Specdb::NmrOneD 286034 388455 439324 FDB022557 C00842 35248 36175 6163 Goncalves, Ruth J. Thymidine diphosphate glucose and biosynthesis of glucosides in wheat germ. I. Enzymologia (1963), 26(5), 287-93. BMDBP00437 dTDP-D-glucose 4,6-dehydratase A6QLW2 TGDS Enzyme