2.0 2012-05-31 14:09:59 -0600 2015-06-03 15:54:56 -0600 ECMDB06876 M2MDB000701 dTDP-D-Galactose dTDP-D-galactose is an intermediate involved in nucleotide sugar metabolism. It can be generated by dTDP-D-glucose through the action of the enzyme UDP-glucose 4-epimerase. Deoxythymidine diphosphate-D-galactose Deoxythymidine diphosphoric acid-D-galactose DTDP-D-Galactose Thymidine 5'-[3-(D-galactopyranosyl) dihydrogen diphosphate] Thymidine 5'-[3-(D-galactopyranosyl) dihydrogen diphosphoric acid] C16H26N2O16P2 564.329 564.075755818 {[hydroxy({[(2R,3R,4S,5R,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 [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy({hydroxy[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl}oxy)phosphinic acid 5817-97-0 CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]3O[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-OAOVJFGZSA-N Solid Cytoplasm Periplasm logp -1.21 ALOGPS logs -1.70 ALOGPS solubility 1.12e+01 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 1.73 ChemAxon pka_strongest_basic -3 ChemAxon iupac {[hydroxy({[(2R,3R,4S,5R,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)O[C@H]3O[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-OAOVJFGZSA-N ChemAxon polar_surface_area 271.31 ChemAxon refractivity 109.3 ChemAxon polarizability 47.09 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17145 Specdb::CMs 39128 Specdb::CMs 282058 Specdb::CMs 351118 Specdb::CMs 351119 Specdb::CMs 351120 Specdb::CMs 351121 Specdb::CMs 351122 Specdb::CMs 351123 Specdb::CMs 351124 Specdb::CMs 351125 Specdb::CMs 351126 Specdb::CMs 351127 Specdb::CMs 351128 Specdb::CMs 351129 Specdb::CMs 351130 Specdb::CMs 351131 Specdb::CMs 351132 Specdb::CMs 351133 Specdb::CMs 351134 Specdb::CMs 351135 Specdb::CMs 351136 Specdb::CMs 351137 Specdb::CMs 351138 Specdb::CMs 351139 Specdb::NmrOneD 91932 Specdb::NmrOneD 91933 Specdb::NmrOneD 91934 Specdb::NmrOneD 91935 Specdb::NmrOneD 91936 Specdb::NmrOneD 91937 Specdb::NmrOneD 91938 Specdb::NmrOneD 91939 Specdb::NmrOneD 91940 Specdb::NmrOneD 91941 Specdb::NmrOneD 91942 Specdb::NmrOneD 91943 Specdb::NmrOneD 91944 Specdb::NmrOneD 91945 Specdb::NmrOneD 91946 Specdb::NmrOneD 91947 Specdb::NmrOneD 91948 Specdb::NmrOneD 91949 Specdb::NmrOneD 91950 Specdb::NmrOneD 91951 Specdb::MsMs 25082 Specdb::MsMs 25083 Specdb::MsMs 25084 Specdb::MsMs 31640 Specdb::MsMs 31641 Specdb::MsMs 31642 Specdb::MsMs 2754931 Specdb::MsMs 2754932 Specdb::MsMs 2754933 Specdb::MsMs 2953545 Specdb::MsMs 2953546 Specdb::MsMs 2953547 HMDB06876 439651 388722 C02097 14086 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 UDP-glucose 4-epimerase P09147 GALE_ECOLI galE http://ecmdb.ca/proteins/P09147.xml dTDP-D-Glucose <> dTDP-D-Galactose R02984 dTDP-D-Glucose <> dTDP-D-Galactose