Mol:BMMCPYURS607
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 1 0 0 0 0 0999 V2000
3.7321 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -4.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4179 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4124 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0002 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5935 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5990 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0112 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8192 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1813 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8301 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5211 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2423 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5701 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 3 1 0 0 0 0
22 26 1 1 0 0 0
3 9 1 6 0 0 0
3 2 1 0 0 0 0
4 10 2 0 0 0 0
2 1 1 0 0 0 0
5 6 1 6 0 0 0
1 11 1 0 0 0 0
11 5 1 0 0 0 0
12 13 1 0 0 0 0
12 17 1 0 0 0 0
13 14 1 0 0 0 0
13 18 2 0 0 0 0
17 16 2 0 0 0 0
14 15 1 0 0 0 0
15 19 2 0 0 0 0
16 15 1 0 0 0 0
20 12 1 0 0 0 0
1 7 1 4 0 0 0
7 33 1 0 0 0 0
5 4 1 0 0 0 0
33 32 1 0 0 0 0
21 20 1 0 0 0 0
32 29 1 0 0 0 0
20 27 1 6 0 0 0
29 28 1 0 0 0 0
23 27 1 6 0 0 0
29 31 1 0 0 0 0
23 22 1 0 0 0 0
33 35 1 0 0 0 0
22 21 1 0 0 0 0
33 34 2 0 0 0 0
2 8 1 1 0 0 0
29 30 2 0 0 0 0
21 25 1 1 0 0 0
28 24 1 0 0 0 0
23 24 1 0 0 0 0
S SKP 7
ID BMMCPYURS607
NAME UDP-4-oxo-6-deoxy-D-glucose
FORMULA C15H22N2O16P2
EXACTMASS 548.0444
AVERAGEMASS 548.2865
SMILES O=C(C=3)NC(=O)N(C3)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@H](O)[C@@H](O)C(=O)[C@@H](C)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04089
M END
