Mol:PR100752
From Metabolomics.JP
(Difference between revisions)
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| − | + | ||
| − | ISISHOST03240423012D 1 1.00000 0.00000 55 | + | ISISHOST03240423012D 1 1.00000 0.00000 55 |
| − | + | ||
| − | 21 22 0 1 0 999 V2000 | + | 21 22 0 1 0 999 V2000 |
| − | 0.5000 0.1138 0.0000 C 0 0 2 0 0 0 0 0 0 | + | 0.5000 0.1138 0.0000 C 0 0 2 0 0 0 0 0 0 |
| − | 1.2931 0.3759 0.0000 N 0 0 3 0 0 0 0 0 0 | + | 1.2931 0.3759 0.0000 N 0 0 3 0 0 0 0 0 0 |
| − | -0.1414 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -0.1414 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 0.2586 -0.6966 0.0000 C 0 0 1 0 0 0 0 0 0 | + | 0.2586 -0.6966 0.0000 C 0 0 1 0 0 0 0 0 0 |
| − | 1.9138 -0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.9138 -0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.4655 1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.4655 1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.8172 0.0966 0.0000 C 0 0 1 0 0 0 0 0 0 | + | -0.8172 0.0966 0.0000 C 0 0 1 0 0 0 0 0 0 |
| − | -0.5690 -0.6966 0.0000 C 0 0 1 0 0 0 0 0 0 | + | -0.5690 -0.6966 0.0000 C 0 0 1 0 0 0 0 0 0 |
| − | 0.7448 -1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 0.7448 -1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 2.7034 0.0828 0.0000 N 0 0 0 0 0 0 0 0 0 | + | 2.7034 0.0828 0.0000 N 0 0 0 0 0 0 0 0 0 |
| − | 1.7483 -0.9862 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 1.7483 -0.9862 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 2.2483 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 2.2483 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.6069 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.6069 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.0621 -1.3586 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -1.0621 -1.3586 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 2.8724 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 2.8724 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -2.2172 -0.2034 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -2.2172 -0.2034 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 3.6586 1.1517 0.0000 N 0 0 0 0 0 0 0 0 0 | + | 3.6586 1.1517 0.0000 N 0 0 0 0 0 0 0 0 0 |
| − | -3.0414 -0.2034 0.0000 P 0 0 3 0 0 0 0 0 0 | + | -3.0414 -0.2034 0.0000 P 0 0 3 0 0 0 0 0 0 |
| − | -3.0448 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -3.0448 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | -3.8655 -0.2034 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -3.8655 -0.2034 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | -3.0448 0.6207 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -3.0448 0.6207 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 1 0 0 | + | 1 2 1 1 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 1 4 1 0 0 0 | + | 1 4 1 0 0 0 |
| − | 2 5 1 0 0 0 | + | 2 5 1 0 0 0 |
| − | 2 6 1 0 0 0 | + | 2 6 1 0 0 0 |
| − | 3 7 1 0 0 0 | + | 3 7 1 0 0 0 |
| − | 4 8 1 0 0 0 | + | 4 8 1 0 0 0 |
| − | 4 9 1 6 0 0 | + | 4 9 1 6 0 0 |
| − | 5 10 1 0 0 0 | + | 5 10 1 0 0 0 |
| − | 5 11 2 0 0 0 | + | 5 11 2 0 0 0 |
| − | 6 12 2 0 0 0 | + | 6 12 2 0 0 0 |
| − | 7 13 1 1 0 0 | + | 7 13 1 1 0 0 |
| − | 8 14 1 6 0 0 | + | 8 14 1 6 0 0 |
| − | 10 15 2 0 0 0 | + | 10 15 2 0 0 0 |
| − | 13 16 1 0 0 0 | + | 13 16 1 0 0 0 |
| − | 15 17 1 0 0 0 | + | 15 17 1 0 0 0 |
| − | 16 18 1 0 0 0 | + | 16 18 1 0 0 0 |
| − | 18 19 1 0 0 0 | + | 18 19 1 0 0 0 |
| − | 18 20 1 0 0 0 | + | 18 20 1 0 0 0 |
| − | 18 21 2 0 0 0 | + | 18 21 2 0 0 0 |
| − | 7 8 1 0 0 0 | + | 7 8 1 0 0 0 |
| − | 12 15 1 0 0 0 | + | 12 15 1 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 63-37-6 | + | CAS_RN 63-37-6 |
| − | NAME Cytidine-5'-monophosphate | + | NAME Cytidine-5'-monophosphate |
| + | ID PR100752 | ||
| + | FORMULA C9H14N3O8P | ||
| + | EXACTMASS 323.05185094899997 | ||
| + | AVERAGEMASS 323.196641 | ||
| + | SMILES NC(C=2)=NC(=O)N(C2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | ||
M END | M END | ||
Latest revision as of 10:31, 23 December 2009
ISISHOST03240423012D 1 1.00000 0.00000 55
21 22 0 1 0 999 V2000
0.5000 0.1138 0.0000 C 0 0 2 0 0 0 0 0 0
1.2931 0.3759 0.0000 N 0 0 3 0 0 0 0 0 0
-0.1414 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0
0.2586 -0.6966 0.0000 C 0 0 1 0 0 0 0 0 0
1.9138 -0.1759 0.0000 C 0 0 0 0 0 0 0 0 0
1.4655 1.1828 0.0000 C 0 0 0 0 0 0 0 0 0
-0.8172 0.0966 0.0000 C 0 0 1 0 0 0 0 0 0
-0.5690 -0.6966 0.0000 C 0 0 1 0 0 0 0 0 0
0.7448 -1.3621 0.0000 O 0 0 0 0 0 0 0 0 0
2.7034 0.0828 0.0000 N 0 0 0 0 0 0 0 0 0
1.7483 -0.9862 0.0000 O 0 0 0 0 0 0 0 0 0
2.2483 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0
-1.6069 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0
-1.0621 -1.3586 0.0000 O 0 0 0 0 0 0 0 0 0
2.8724 0.8966 0.0000 C 0 0 0 0 0 0 0 0 0
-2.2172 -0.2034 0.0000 O 0 0 0 0 0 0 0 0 0
3.6586 1.1517 0.0000 N 0 0 0 0 0 0 0 0 0
-3.0414 -0.2034 0.0000 P 0 0 3 0 0 0 0 0 0
-3.0448 -1.0276 0.0000 O 0 0 0 0 0 0 0 0 0
-3.8655 -0.2034 0.0000 O 0 0 0 0 0 0 0 0 0
-3.0448 0.6207 0.0000 O 0 0 0 0 0 0 0 0 0
1 2 1 1 0 0
1 3 1 0 0 0
1 4 1 0 0 0
2 5 1 0 0 0
2 6 1 0 0 0
3 7 1 0 0 0
4 8 1 0 0 0
4 9 1 6 0 0
5 10 1 0 0 0
5 11 2 0 0 0
6 12 2 0 0 0
7 13 1 1 0 0
8 14 1 6 0 0
10 15 2 0 0 0
13 16 1 0 0 0
15 17 1 0 0 0
16 18 1 0 0 0
18 19 1 0 0 0
18 20 1 0 0 0
18 21 2 0 0 0
7 8 1 0 0 0
12 15 1 0 0 0
S SKP 7
CAS_RN 63-37-6
NAME Cytidine-5'-monophosphate
ID PR100752
FORMULA C9H14N3O8P
EXACTMASS 323.05185094899997
AVERAGEMASS 323.196641
SMILES NC(C=2)=NC(=O)N(C2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
M END
