Mol:BMMCPYCTS601
From Metabolomics.JP
(Difference between revisions)
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| − | 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 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -5.1375 0.0000 C 0 0 0 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 1 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 | + | 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 | + | 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 |
| − | 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 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1813 6.6375 0.0000 N 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 20 24 1 1 0 0 0 | + | 20 24 1 1 0 0 0 |
| − | 19 11 1 0 0 0 0 | + | 19 11 1 0 0 0 0 |
| − | 31 28 1 0 0 0 0 | + | 31 28 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 12 17 2 0 0 0 0 | + | 12 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 7 1 0 0 0 0 | + | 32 7 1 0 0 0 0 |
| − | 32 34 2 0 0 0 0 | + | 32 34 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 21 25 1 1 0 0 0 | + | 21 25 1 1 0 0 0 |
| − | 28 27 1 0 0 0 0 | + | 28 27 1 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 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 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 |
| − | 4 9 1 1 0 0 0 | + | 4 9 1 1 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTS601 | + | ID BMMCPYCTS601 |
| − | NAME CDP-3,6-dideoxy-D-glucose | + | NAME CDP-3,6-dideoxy-D-glucose |
| − | FORMULA C15H25N3O14P2 | + | FORMULA C15H25N3O14P2 |
| − | EXACTMASS 533.0811 | + | EXACTMASS 533.0811 |
| − | AVERAGEMASS 533.3183 | + | AVERAGEMASS 533.3183 |
| − | SMILES NC(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[C@H](O)[C@@H](C)2)1 | + | SMILES NC(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[C@H](O)[C@@H](C)2)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03598 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03598 |
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 0 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 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
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 N 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
22 23 1 0 0 0 0
20 24 1 1 0 0 0
19 11 1 0 0 0 0
31 28 1 0 0 0 0
28 30 2 0 0 0 0
28 29 1 0 0 0 0
12 13 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 13 2 0 0 0 0
12 17 2 0 0 0 0
14 18 1 0 0 0 0
31 32 1 0 0 0 0
32 7 1 0 0 0 0
32 34 2 0 0 0 0
32 33 1 0 0 0 0
23 27 1 0 0 0 0
21 25 1 1 0 0 0
28 27 1 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
5 6 1 6 0 0 0
1 7 1 4 0 0 0
2 8 1 1 0 0 0
4 9 1 1 0 0 0
S SKP 7
ID BMMCPYCTS601
NAME CDP-3,6-dideoxy-D-glucose
FORMULA C15H25N3O14P2
EXACTMASS 533.0811
AVERAGEMASS 533.3183
SMILES NC(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[C@H](O)[C@@H](C)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03598
M END
