Mol:BMMCPYURS502
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 36 0 0 1 0 0 0 0 0999 V2000 | + | 34 36 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 | + | 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 -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 | + | 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 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -5.1375 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 | + | 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 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 7.5990 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 5.8301 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 | + | 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 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 | + | 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 | + | 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 | + | 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 | + | 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 0.3625 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 4.5981 -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 | + | 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 | + | 5.0981 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22 26 1 6 0 0 0 | + | 22 26 1 6 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 19 26 1 6 0 0 0 | + | 19 26 1 6 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 11 1 0 0 0 0 | + | 19 11 1 0 0 0 0 |
| − | 20 24 1 1 0 0 0 | + | 20 24 1 1 0 0 0 |
| − | 21 25 1 1 0 0 0 | + | 21 25 1 1 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 16 15 2 0 0 0 0 | + | 16 15 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 14 18 2 0 0 0 0 | + | 14 18 2 0 0 0 0 |
| − | 12 17 2 0 0 0 0 | + | 12 17 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 32 31 1 0 0 0 0 | + | 32 31 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 32 6 1 0 0 0 0 | + | 32 6 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 1 10 1 0 0 0 0 | + | 1 10 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 6 1 4 0 0 0 | + | 1 6 1 4 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 3 8 1 6 0 0 0 | + | 3 8 1 6 0 0 0 |
| − | 4 9 1 1 0 0 0 | + | 4 9 1 1 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYURS502 | + | ID BMMCPYURS502 |
| − | NAME UDP-D-xylose | + | NAME UDP-D-xylose |
| − | FORMULA C14H22N2O16P2 | + | FORMULA C14H22N2O16P2 |
| − | EXACTMASS 536.0444 | + | EXACTMASS 536.0444 |
| − | AVERAGEMASS 536.2758 | + | AVERAGEMASS 536.2758 |
| − | 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@H](O)C2)1 | + | 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@H](O)C2)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00190 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00190 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 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 1 0 0 0 0 0 0 0 0 0
4.5981 -5.1375 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
22 26 1 6 0 0 0
22 21 1 0 0 0 0
19 26 1 6 0 0 0
21 20 1 0 0 0 0
19 20 1 0 0 0 0
19 11 1 0 0 0 0
20 24 1 1 0 0 0
21 25 1 1 0 0 0
13 14 1 0 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
11 16 1 0 0 0 0
16 15 2 0 0 0 0
15 14 1 0 0 0 0
14 18 2 0 0 0 0
12 17 2 0 0 0 0
22 23 1 0 0 0 0
23 27 1 0 0 0 0
27 28 1 0 0 0 0
28 31 1 0 0 0 0
32 31 1 0 0 0 0
28 29 1 0 0 0 0
28 30 2 0 0 0 0
32 6 1 0 0 0 0
32 34 1 0 0 0 0
32 33 2 0 0 0 0
5 10 1 0 0 0 0
1 10 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
1 6 1 4 0 0 0
2 7 1 1 0 0 0
3 8 1 6 0 0 0
4 9 1 1 0 0 0
S SKP 7
ID BMMCPYURS502
NAME UDP-D-xylose
FORMULA C14H22N2O16P2
EXACTMASS 536.0444
AVERAGEMASS 536.2758
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@H](O)C2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00190
M END
