Mol:BMMCPYURS503
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 1 0 0 0 0 0999 V2000 | + | 33 35 0 0 1 0 0 0 0 0999 V2000 |
| − | 12.0674 4.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0674 4.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.1720 3.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 12.1720 3.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 11.2584 3.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.2584 3.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.5893 3.7454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 10.5893 3.7454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 9.5948 3.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5948 3.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.0380 2.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.0380 2.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0505 2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0505 2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0893 4.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0893 4.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0070 3.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0070 3.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -1.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -1.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8940 -2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8940 -2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8940 -3.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8940 -3.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -3.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -3.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0280 -1.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0280 -1.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -4.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 -4.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 -0.6114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7601 -0.6114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -0.0236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9511 -0.0236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 0.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2601 0.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.2601 0.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.2601 0.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 1.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 1.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6723 1.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6723 1.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 -0.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 -0.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8424 1.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8424 1.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4302 2.4409 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4302 2.4409 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2392 1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2392 1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6211 3.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6211 3.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0180 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0180 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0125 3.1454 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0125 3.1454 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9079 2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9079 2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1170 4.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1170 4.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 18 25 1 1 0 0 0 | + | 18 25 1 1 0 0 0 |
| − | 21 25 1 1 0 0 0 | + | 21 25 1 1 0 0 0 |
| − | 18 10 1 0 0 0 0 | + | 18 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 13 17 2 0 0 0 0 | + | 13 17 2 0 0 0 0 |
| − | 11 16 2 0 0 0 0 | + | 11 16 2 0 0 0 0 |
| − | 19 23 1 6 0 0 0 | + | 19 23 1 6 0 0 0 |
| − | 20 24 1 6 0 0 0 | + | 20 24 1 6 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 27 29 2 0 0 0 0 | + | 27 29 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 31 9 1 0 0 0 0 | + | 31 9 1 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 8 1 1 0 0 0 0 | + | 8 1 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 4 0 0 0 | + | 4 5 1 4 0 0 0 |
| − | 3 7 1 6 0 0 0 | + | 3 7 1 6 0 0 0 |
| − | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
| − | S SKP 6 | + | S SKP 6 |
| − | ID BMMCPYURS503 | + | ID BMMCPYURS503 |
| − | NAME UDP-D-xylulose | + | NAME UDP-D-xylulose |
| − | FORMULA C14H22N2O15P2 | + | FORMULA C14H22N2O15P2 |
| − | EXACTMASS 520.0495 | + | EXACTMASS 520.0495 |
| − | AVERAGEMASS 520.2764 | + | AVERAGEMASS 520.2764 |
| − | 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)OCC(O2)[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)OCC(O2)[C@@H](O)[C@H](O)C2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 1 0 0 0 0 0999 V2000
12.0674 4.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1720 3.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.2584 3.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5893 3.7454 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.5948 3.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0380 2.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0505 2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0893 4.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0070 3.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.6114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -3.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -3.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -3.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -2.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -1.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -4.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.6114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9511 -0.0236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2601 0.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2601 0.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8479 1.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6723 1.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -0.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 1.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 2.4409 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.2392 1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6211 3.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0180 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0125 3.1454 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.9079 2.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1170 4.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21 20 1 0 0 0 0
20 19 1 0 0 0 0
19 18 1 0 0 0 0
18 25 1 1 0 0 0
21 25 1 1 0 0 0
18 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
13 17 2 0 0 0 0
11 16 2 0 0 0 0
19 23 1 6 0 0 0
20 24 1 6 0 0 0
21 22 1 0 0 0 0
22 26 1 0 0 0 0
26 27 1 0 0 0 0
27 30 1 0 0 0 0
30 31 1 0 0 0 0
27 29 2 0 0 0 0
27 28 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
31 9 1 0 0 0 0
9 5 1 0 0 0 0
4 8 1 0 0 0 0
8 1 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 4 0 0 0
3 7 1 6 0 0 0
2 6 1 1 0 0 0
S SKP 6
ID BMMCPYURS503
NAME UDP-D-xylulose
FORMULA C14H22N2O15P2
EXACTMASS 520.0495
AVERAGEMASS 520.2764
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)OCC(O2)[C@@H](O)[C@H](O)C2)1
M END
