1.0 2011-09-21 01:37:51 UTC 2015-07-21 06:59:22 UTC FDB028317 5-Taurinomethyl-2-thiouridine 5-taurinomethyl-2-thiouridine is a taurine-containing modified uridine which is present in human mitochondrial (mt) tRNA(Lys). (PMID: 15509579) [HMDB] 2-[[(1,2,3,4-tetrahydro-4-oxo-1-b-D-ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-Ethanesulfonic acid 2-[[(1,2,3,4-tetrahydro-4-oxo-1-beta-delta-ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-Ethanesulfonic acid C12H19N3O8S2 397.425 397.061355979 2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acid 2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-3H-pyrimidin-5-yl}methyl)amino]ethanesulfonic acid 497258-54-5 OC[C@H]1O[C@H](C(O)C1O)N1C=C(CNCCS(O)(=O)=O)C(=O)NC1=S InChI=1S/C12H19N3O8S2/c16-5-7-8(17)9(18)11(23-7)15-4-6(10(19)14-12(15)24)3-13-1-2-25(20,21)22/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,24)(H,20,21,22)/t7-,8?,9?,11-/m1/s1 XMIFBEZRFMTGRL-NHSUTOTLSA-N belongs to the class of organic compounds known as pyrimidine nucleosides. Pyrimidine nucleosides are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety. Pyrimidine nucleosides Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleosides Aromatic heteromonocyclic compounds 2-Thiopyrimidines Alkanesulfonic acids Aralkylamines Azacyclic compounds Dialkylamines Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Lactams Organic oxides Organopnictogen compounds Organosulfonic acids Oxacyclic compounds Pentoses Primary alcohols Pyrimidinethiones Pyrimidones Secondary alcohols Sulfonyls Tetrahydrofurans Thioureas Vinylogous amides 2-thiopyrimidine Alcohol Alkanesulfonic acid Amine Aralkylamine Aromatic heteromonocyclic compound Azacycle Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Lactam Monosaccharide N-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Oxacycle Pentose monosaccharide Primary alcohol Pyrimidine Pyrimidine nucleoside Pyrimidinethione Pyrimidone Secondary alcohol Secondary aliphatic amine Secondary amine Sulfonyl Tetrahydrofuran Thiopyrimidine Thiourea Vinylogous amide Solid logp -1.92 ALOGPS logs -1.92 ALOGPS solubility 4.83e+00 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic -1.5 ChemAxon pka_strongest_basic 8.53 ChemAxon iupac 2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acid ChemAxon average_mass 397.425 ChemAxon mono_mass 397.061355979 ChemAxon smiles OC[C@H]1O[C@H](C(O)C1O)N1C=C(CNCCS(O)(=O)=O)C(=O)NC1=S ChemAxon formula C12H19N3O8S2 ChemAxon inchi InChI=1S/C12H19N3O8S2/c16-5-7-8(17)9(18)11(23-7)15-4-6(10(19)14-12(15)24)3-13-1-2-25(20,21)22/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,24)(H,20,21,22)/t7-,8?,9?,11-/m1/s1 ChemAxon inchikey XMIFBEZRFMTGRL-NHSUTOTLSA-N ChemAxon polar_surface_area 168.66 ChemAxon refractivity 87.81 ChemAxon polarizability 36.03 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19868 Specdb::CMs 39718 Specdb::CMs 172671 Specdb::NmrOneD 93432 Specdb::NmrOneD 93433 Specdb::NmrOneD 93434 Specdb::NmrOneD 93435 Specdb::NmrOneD 93436 Specdb::NmrOneD 93437 Specdb::NmrOneD 93438 Specdb::NmrOneD 93439 Specdb::NmrOneD 93440 Specdb::NmrOneD 93441 Specdb::NmrOneD 93442 Specdb::NmrOneD 93443 Specdb::NmrOneD 93444 Specdb::NmrOneD 93445 Specdb::NmrOneD 93446 Specdb::NmrOneD 93447 Specdb::NmrOneD 93448 Specdb::NmrOneD 93449 Specdb::NmrOneD 93450 Specdb::NmrOneD 93451 Specdb::MsMs 310249 Specdb::MsMs 310250 Specdb::MsMs 310251 Specdb::MsMs 354895 Specdb::MsMs 354896 Specdb::MsMs 354897 Specdb::MsMs 3042907 Specdb::MsMs 3042908 Specdb::MsMs 3042909 Specdb::MsMs 3097708 Specdb::MsMs 3097709 Specdb::MsMs 3097710 HMDB11610 #<Reference:0x000055ce2f25b590> 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