Mol:BMMCPYCT0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 1 0 0 0 0 0999 V2000 | + | 21 22 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.0823 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2163 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2163 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2163 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2163 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9483 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9483 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9483 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9483 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3503 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3503 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 -4.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -4.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 -0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.0823 -0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8913 0.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8913 0.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8913 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8913 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1701 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1701 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2733 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2733 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7634 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7634 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6769 3.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6769 3.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8498 2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8498 2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3566 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3566 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 12 16 1 6 0 0 0 | + | 12 16 1 6 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 9 16 1 6 0 0 0 | + | 9 16 1 6 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 10 14 1 1 0 0 0 | + | 10 14 1 1 0 0 0 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCT0005 | + | ID BMMCPYCT0005 |
| − | NAME 3'-CMP | + | NAME 3'-CMP |
| − | FORMULA C9H14N3O8P | + | FORMULA C9H14N3O8P |
| − | EXACTMASS 323.0518 | + | EXACTMASS 323.0518 |
| − | AVERAGEMASS 323.1966 | + | AVERAGEMASS 323.1966 |
| − | SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 | + | SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05822 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05822 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 1 0 0 0 0 0999 V2000
4.0823 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8913 0.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8913 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7634 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.6769 3.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8498 2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18 19 1 0 0 0 0
18 20 2 0 0 0 0
18 15 1 0 0 0 0
12 16 1 6 0 0 0
11 12 1 0 0 0 0
9 16 1 6 0 0 0
11 10 1 0 0 0 0
9 10 1 0 0 0 0
12 13 1 0 0 0 0
10 14 1 1 0 0 0
9 1 1 0 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 2 0 0 0 0
2 7 2 0 0 0 0
4 8 1 0 0 0 0
21 18 1 0 0 0 0
13 17 1 0 0 0 0
11 15 1 1 0 0 0
S SKP 7
ID BMMCPYCT0005
NAME 3'-CMP
FORMULA C9H14N3O8P
EXACTMASS 323.0518
AVERAGEMASS 323.1966
SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05822
M END
