11FR8_GDU_A_100
2  RCSB PDB12061702313D
3Coordinates from PDB:1FR8:A:100 Model:1 without hydrogens
4 25 26  0  0  0  0            999 V2000
5   14.0090   19.2740    7.2290   N 0  0  0  0  0  0  0  0  0  0  0  0
6   14.3130   19.2680    5.8930   C 0  0  0  0  0  0  0  0  0  0  0  0
7   13.2820   18.9320    5.0560   N 0  0  0  0  0  0  0  0  0  0  0  0
8   11.9630   18.5910    5.4270   C 0  0  0  0  0  0  0  0  0  0  0  0
9   11.7310   18.6070    6.8610   C 0  0  0  0  0  0  0  0  0  0  0  0
10   12.7170   18.9380    7.6960   C 0  0  0  0  0  0  0  0  0  0  0  0
11   15.4470   19.5640    5.5720   O 0  0  0  0  0  0  0  0  0  0  0  0
12   11.1190   18.3050    4.5520   O 0  0  0  0  0  0  0  0  0  0  0  0
13   15.1340   19.6900    8.0700   C 0  0  0  0  0  0  0  0  0  0  0  0
14   15.1790   21.0420    8.7500   C 0  0  0  0  0  0  0  0  0  0  0  0
15   15.3910   22.2130    7.9330   O 0  0  0  0  0  0  0  0  0  0  0  0
16   16.2330   20.7490    9.7320   C 0  0  0  0  0  0  0  0  0  0  0  0
17   15.6060   19.4830   10.3340   C 0  0  0  0  0  0  0  0  0  0  0  0
18   15.3620   18.7660    9.0820   O 0  0  0  0  0  0  0  0  0  0  0  0
19   17.4360   20.4140    9.0010   O 0  0  0  0  0  0  0  0  0  0  0  0
20   14.3170   19.6850   11.1850   C 0  0  0  0  0  0  0  0  0  0  0  0
21   13.1610   20.2940   10.5460   O 0  0  0  0  0  0  0  0  0  0  0  0
22   11.6920   20.5750   11.1480   P 0  0  0  0  0  0  0  0  0  0  0  0
23   10.9380   21.7430   10.6490   O 0  0  0  0  0  0  0  0  0  0  0  0
24   11.2410   19.9850   12.4700   O 0  0  0  0  0  0  0  0  0  0  0  0
25   12.6910   21.6230   12.0450   O 0  0  0  0  0  0  0  0  0  0  0  0
26   12.4450   22.4170   13.4250   P 0  0  0  0  0  0  0  0  0  0  0  0
27   13.7200   23.3220   13.8620   O 0  0  0  0  0  0  0  0  0  0  0  0
28   11.2850   22.0670   14.3450   O 0  0  0  0  0  0  0  0  0  0  0  0
29   12.8220   21.1420   14.1470   O 0  0  0  0  0  0  0  0  0  0  0  0
30  1  2  1  0  0  0  0
31  1  6  1  0  0  0  0
32  1  9  1  0  0  0  0
33  2  3  1  0  0  0  0
34  2  7  2  0  0  0  0
35  3  4  1  0  0  0  0
36  4  5  1  0  0  0  0
37  4  8  2  0  0  0  0
38  5  6  2  0  0  0  0
39  9 10  1  0  0  0  0
40  9 14  1  0  0  0  0
41 10 11  1  0  0  0  0
42 10 12  1  0  0  0  0
43 12 13  1  0  0  0  0
44 12 15  1  0  0  0  0
45 13 14  1  0  0  0  0
46 13 16  1  0  0  0  0
47 16 17  1  0  0  0  0
48 17 18  1  0  0  0  0
49 18 19  2  0  0  0  0
50 18 20  1  0  0  0  0
51 18 21  1  0  0  0  0
52 21 22  1  0  0  0  0
53 22 23  2  0  0  0  0
54 22 24  1  0  0  0  0
55 22 25  1  0  0  0  0
56A    1
57N1
58A    2
59C2
60A    3
61N3
62A    4
63C4
64A    5
65C5
66A    6
67C6
68A    7
69O2
70A    8
71O4
72A    9
73C1D
74A   10
75C2D
76A   11
77O2D
78A   12
79C3D
80A   13
81C4D
82A   14
83O4D
84A   15
85O3D
86A   16
87C5D
88A   17
89O5D
90A   18
91PA
92A   19
93O1A
94A   20
95O2A
96A   21
97O3A
98A   22
99PB
100A   23
101O1B
102A   24
103O2B
104A   25
105O3B
106M  END
107>  <InstanceId>
1081FR8_GDU_A_100
109
110>  <ChemCompId>
111GDU
112
113>  <PdbId>
1141FR8
115
116>  <ChainId>
117A
118
119>  <ResidueNumber>
120100
121
122>  <InsertionCode>
123
124
125>  <Model>
1261
127
128>  <AltIds>
129
130
131>  <MissingHeavyAtoms>
13211
133
134>  <ObservedFormula>
135C9 N2 O12 P2
136
137>  <Name>
138GALACTOSE-URIDINE-5'-DIPHOSPHATE
139
140>  <SystematicName>
141[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl] hydrogen phosphate
142
143>  <Synonyms>
144UDP-D-GALACTOPYRANOSE
145
146>  <Type>
147NON-POLYMER
148
149>  <Formula>
150C15 H24 N2 O17 P2
151
152>  <MolecularWeight>
153566.302
154
155>  <ModifiedDate>
1562011-06-04
157
158>  <Parent>
159
160
161>  <OneLetterCode>
162
163
164>  <SubcomponentList>
165
166
167>  <AmbiguousFlag>
168N
169
170>  <InChI>
171InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1
172
173>  <InChIKey>
174HSCJRCZFDFQWRP-ABVWGUQPSA-N
175
176>  <SMILES>
177C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O
178
179$$$$
180