Mol:BMMCPYTYS605
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 1 0 0 0 0 0999 V2000 | + | 35 37 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 -3.7420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.7420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -5.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -5.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -5.2420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -5.2420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -5.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -5.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -4.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4179 4.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4179 4.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4124 4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4124 4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0002 4.8104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0002 4.8104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5935 5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5935 5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5990 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5990 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0112 5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0112 5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8192 3.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8192 3.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1813 6.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1813 6.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1922 6.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1922 6.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 3.2969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.8301 3.2969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.8301 3.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8301 3.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5211 2.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5211 2.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5701 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5701 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1391 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1391 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.7420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.7420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.2420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.2420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0981 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0981 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 27 1 6 0 0 0 | + | 21 27 1 6 0 0 0 |
| − | 24 27 1 6 0 0 0 | + | 24 27 1 6 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 21 12 1 0 0 0 0 | + | 21 12 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 23 26 1 1 0 0 0 | + | 23 26 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 13 18 2 0 0 0 0 | + | 13 18 2 0 0 0 0 |
| − | 15 19 2 0 0 0 0 | + | 15 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 33 7 1 0 0 0 0 | + | 33 7 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 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 |
| − | 5 6 1 1 0 0 0 | + | 5 6 1 1 0 0 0 |
| − | 1 7 1 4 0 0 0 | + | 1 7 1 4 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 4 10 2 0 0 0 0 | + | 4 10 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYTYS605 | + | ID BMMCPYTYS605 |
| − | NAME dTDP-4-oxo-L-rhamnose | + | NAME dTDP-4-oxo-L-rhamnose |
| − | FORMULA C16H24N2O15P2 | + | FORMULA C16H24N2O15P2 |
| − | EXACTMASS 546.0651 | + | EXACTMASS 546.0651 |
| − | AVERAGEMASS 546.3137 | + | AVERAGEMASS 546.3137 |
| − | SMILES O=C(N3)C(C)=CN(C(=O)3)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@H](O)[C@H](O)C(=O)[C@H](C)2)[C@@H](O)1 | + | SMILES O=C(N3)C(C)=CN(C(=O)3)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@H](O)[C@H](O)C(=O)[C@H](C)2)[C@@H](O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00688 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00688 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 1 0 0 0 0 0999 V2000
3.7321 -3.7420 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -4.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -5.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.2420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -6.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4179 4.1059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4124 4.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0002 4.8104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5935 5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5990 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0112 5.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8192 3.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1813 6.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1922 6.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 3.2969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8301 3.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5211 2.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.7580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5701 2.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1391 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -0.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2420 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -1.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -3.1080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21 22 1 0 0 0 0
21 27 1 6 0 0 0
24 27 1 6 0 0 0
24 23 1 0 0 0 0
23 22 1 0 0 0 0
24 25 1 0 0 0 0
21 12 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
29 32 1 0 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
32 33 1 0 0 0 0
33 35 1 0 0 0 0
33 34 2 0 0 0 0
23 26 1 1 0 0 0
14 15 1 0 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
12 17 1 0 0 0 0
17 16 2 0 0 0 0
16 15 1 0 0 0 0
13 18 2 0 0 0 0
15 19 2 0 0 0 0
16 20 1 0 0 0 0
33 7 1 0 0 0 0
5 11 1 0 0 0 0
1 11 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
5 6 1 1 0 0 0
1 7 1 4 0 0 0
2 8 1 1 0 0 0
3 9 1 1 0 0 0
4 10 2 0 0 0 0
S SKP 7
ID BMMCPYTYS605
NAME dTDP-4-oxo-L-rhamnose
FORMULA C16H24N2O15P2
EXACTMASS 546.0651
AVERAGEMASS 546.3137
SMILES O=C(N3)C(C)=CN(C(=O)3)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@H](O)[C@H](O)C(=O)[C@H](C)2)[C@@H](O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00688
M END
