2.0 2012-10-10 12:22:11 -0600 2015-06-03 17:26:10 -0600 ECMDB23209 M2MDB003599 TDP Thymidine diphosphate is a nucleoside diphosphate. It is an ester of pyrophosphoric acid with the nucleoside thymidine. TDP consists of the pyrophosphate group, the pentose sugar ribose, and the nucleobase thymine. TDP is produced during the synthesis of LPS via the enzyme 4-alpha-L-fucosyltransferase which catalyzes the reaction TDP-Fuc4NAc + Und-PP-GlcNAc-ManNAcA = TDP + Und-PP-GlcNAc-ManNAcA-Fuc4NAc. This reaction leads to the Lipid III product, which is third lipid-linked intermediate involved in LPS synthesis. 2-3-(4-amino-2-methylpyrimidin-5-yl)methyl-4-methyl-1,3-thiazol-3-ium-5-ylethyl phosphono hydrogen phosphate chloride 2-3-(4-amino-2-Methylpyrimidin-5-yl)methyl-4-methyl-1,3-thiazol-3-ium-5-ylethyl phosphono hydrogen phosphoric acid chloride 3-(4-amino-2-methylpyrimidin-5-yl)methyl-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride Cocarboxilasa Cocarboxylase Cocarboxylasum Coenzymate Coenzymic acid Thiamine diphosphate chloride Thiamine diphosphoric acid chloride Thiamine pyrophosphate Thiamine pyrophosphoric acid Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide C12H19ClN4O7P2S 460.767 460.013820403 3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-5-{2-[(phosphono phosphonato)oxy]ethyl}-1,3-thiazol-3-ium hydrochloride 3-[(4-imino-2-methyl-3H-pyrimidin-5-yl)methyl]-4-methyl-5-{2-[(phosphono phosphonato)oxy]ethyl}-1,3-thiazol-3-ium hydrochloride Cl.CC1=C(CCOP([O-])(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)NC1=N InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H YXVCLPJQTZXJLH-UHFFFAOYSA-N logp -8.2 ChemAxon pka_strongest_acidic 1.75 ChemAxon pka_strongest_basic 6.89 ChemAxon iupac 3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-5-{2-[(phosphono phosphonato)oxy]ethyl}-1,3-thiazol-3-ium hydrochloride ChemAxon average_mass 460.767 ChemAxon mono_mass 460.013820403 ChemAxon smiles Cl.CC1=C(CCOP([O-])(=O)OP(O)(O)=O)SC=[N+]1CC1=CN=C(C)NC1=N ChemAxon formula C12H19ClN4O7P2S ChemAxon inchi InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H ChemAxon inchikey YXVCLPJQTZXJLH-UHFFFAOYSA-N ChemAxon polar_surface_area 168.24 ChemAxon refractivity 102.8 ChemAxon polarizability 36.43 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4672 Specdb::NmrOneD 4696 Specdb::NmrOneD 303431 Specdb::NmrOneD 303432 Specdb::NmrOneD 303433 Specdb::NmrOneD 303434 Specdb::NmrOneD 303435 Specdb::NmrOneD 303436 Specdb::NmrOneD 303437 Specdb::NmrOneD 303438 Specdb::NmrOneD 303439 Specdb::NmrOneD 303440 Specdb::NmrOneD 303441 Specdb::NmrOneD 303442 Specdb::NmrOneD 303443 Specdb::NmrOneD 303444 Specdb::NmrOneD 303445 Specdb::NmrOneD 303446 Specdb::NmrOneD 303447 Specdb::NmrOneD 303448 Specdb::NmrOneD 303449 Specdb::NmrOneD 303450 Specdb::MsMs 27632 Specdb::MsMs 27633 Specdb::MsMs 27634 Specdb::MsMs 34190 Specdb::MsMs 34191 Specdb::MsMs 34192