12FR5_TYU_A_1001 2 RCSB PDB12061705353D 3Coordinates from PDB:2FR5:A:1001 Model:1 without hydrogens 4 17 18 0 0 0 0 999 V2000 5 14.7060 1.2910 63.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 6 13.5940 0.6350 64.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 7 13.6790 0.5880 65.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 8 14.7470 -0.2840 65.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 9 15.7230 0.3960 66.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 10 17.0560 -0.1820 66.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 11 17.4010 -0.5970 65.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 12 17.8260 -0.3770 67.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 13 17.4210 -0.1690 68.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 14 19.0730 -0.8480 67.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 15 19.7370 -0.9560 66.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 16 20.9850 -0.2360 66.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 17 18.8990 -0.3520 65.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 18 15.5390 1.8320 66.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 19 16.1490 2.8800 67.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 20 14.0960 1.9110 66.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 21 13.3880 2.3000 67.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 22 1 2 1 0 0 0 0 23 2 3 1 0 0 0 0 24 3 4 1 0 0 0 0 25 3 16 1 0 0 0 0 26 4 5 1 0 0 0 0 27 5 6 1 0 0 0 0 28 5 14 1 0 0 0 0 29 6 7 1 0 0 0 0 30 6 8 1 0 0 0 0 31 7 13 1 0 0 0 0 32 8 9 2 0 0 0 0 33 8 10 1 0 0 0 0 34 10 11 1 0 0 0 0 35 11 12 1 0 0 0 0 36 11 13 1 0 0 0 0 37 14 15 1 0 0 0 0 38 14 16 1 0 0 0 0 39 16 17 1 0 0 0 0 40A 1 41O5' 42A 2 43C5' 44A 3 45C4' 46A 4 47O4' 48A 5 49C1' 50A 6 51N1 52A 7 53C6 54A 8 55C2 56A 9 57O2 58A 10 59N3 60A 11 61C4 62A 12 63O4 64A 13 65C5 66A 14 67C2' 68A 15 69O2' 70A 16 71C3' 72A 17 73O3' 74M END 75> <InstanceId> 762FR5_TYU_A_1001 77 78> <ChemCompId> 79TYU 80 81> <PdbId> 822FR5 83 84> <ChainId> 85A 86 87> <ResidueNumber> 881001 89 90> <InsertionCode> 91 92 93> <Model> 941 95 96> <AltIds> 97 98 99> <MissingHeavyAtoms> 1000 101 102> <ObservedFormula> 103C9 N2 O6 104 105> <Name> 106TETRAHYDROURIDINE 107 108> <SystematicName> 109(4R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one 110 111> <Synonyms> 1121-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE 113 114> <Type> 115RNA LINKING 116 117> <Formula> 118C9 H16 N2 O6 119 120> <MolecularWeight> 121248.233 122 123> <ModifiedDate> 1242011-06-04 125 126> <Parent> 127 128 129> <OneLetterCode> 130N 131 132> <SubcomponentList> 133 134 135> <AmbiguousFlag> 136N 137 138> <InChI> 139InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1 140 141> <InChIKey> 142UCKYOOZPSJFJIZ-FMDGEEDCSA-N 143 144> <SMILES> 145C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 146 147$$$$ 148