2.02015-06-18 22:44:44 -06002015-08-05 16:22:05 -0600ECMDB23903M2MDB005845dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactoseThe nucleotide-sugar oxoanion which is the dianion formed from dTDP-4-acetamido-4,6-dideoxy-D-galactose by deprotonation of the two phosphate OH groupsdTDP-4-acetamido-4,6-Dideoxy-a-D-galactosedTDP-4-acetamido-4,6-Dideoxy-α-D-galactosedTDP-Fuc4nacC18H29N3O15P2589.384589.107391242{[(2R,3R,4S,5R,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid[(2R,3R,4S,5R,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy({hydroxy[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphinic acidC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1NC(C)=OInChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1YHXQWYBLXUELDA-HYPDDMKDSA-Nlogp-0.98logs-1.93solubility7.00e+00 g/llogp-2.9pka_strongest_acidic1.73pka_strongest_basic-1.3iupac{[(2R,3R,4S,5R,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acidaverage_mass589.384mono_mass589.107391242smilesC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1NC(C)=OformulaC18H29N3O15P2inchiInChI=1S/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,31)35-17-15(25)14(24)13(8(2)33-17)19-9(3)22/h5,8,10-15,17,23-25H,4,6H2,1-3H3,(H,19,22)(H,28,29)(H,30,31)(H,20,26,27)/t8-,10+,11-,12-,13+,14+,15-,17-/m1/s1inchikeyYHXQWYBLXUELDA-HYPDDMKDSA-Npolar_surface_area259.95refractivity118.86polarizability50.55rotatable_bond_count9acceptor_count12donor_count7physiological_charge-2formal_charge0Specdb::CMs1084525Specdb::NmrOneD332958Specdb::NmrOneD332959Specdb::NmrOneD332960Specdb::NmrOneD332961Specdb::NmrOneD332962Specdb::NmrOneD332963Specdb::NmrOneD332964Specdb::NmrOneD332965Specdb::NmrOneD332966Specdb::NmrOneD332967Specdb::NmrOneD332968Specdb::NmrOneD332969Specdb::NmrOneD332970Specdb::NmrOneD332971Specdb::NmrOneD332972Specdb::NmrOneD332973Specdb::NmrOneD332974Specdb::NmrOneD332975Specdb::NmrOneD332976Specdb::NmrOneD332977Specdb::MsMs27611Specdb::MsMs27612Specdb::MsMs27613Specdb::MsMs34169Specdb::MsMs34170Specdb::MsMs34171C204154-alpha-L-fucosyltransferaseP56258WECF_ECOLIwecFhttp://ecmdb.ca/proteins/P56258.xmlAcetyl-CoA + dTDP-D-Fucosamine <> Coenzyme A + dTDP-4-acetamido-4,6-dideoxy-alpha-D-galactoseR10142