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