Mol:BMMCPD--S502
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 1 0 0 0 0 0999 V2000 | + | 22 23 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4791 -0.9307 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 5.4791 -0.9307 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6131 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6131 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6131 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6131 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4791 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4791 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3451 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3451 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3451 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3451 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7471 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7471 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8810 -2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8810 -2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7471 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7471 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4791 0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4791 0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2881 0.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.2881 0.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3913 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2881 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2881 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5669 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5669 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6701 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6701 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3968 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3968 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 3.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 3.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 17 1 6 0 0 0 | + | 10 17 1 6 0 0 0 |
| − | 13 17 1 6 0 0 0 | + | 13 17 1 6 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 10 1 1 0 0 0 0 | + | 10 1 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 7 9 2 0 0 0 0 | + | 7 9 2 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPD--S502 | + | ID BMMCPD--S502 |
| − | NAME Nicotinamide D-ribonucleotide | + | NAME Nicotinamide D-ribonucleotide |
| − | FORMULA C11H16N2O8P | + | FORMULA C11H16N2O8P |
| − | EXACTMASS 335.0644 | + | EXACTMASS 335.0644 |
| − | AVERAGEMASS 335.2271 | + | AVERAGEMASS 335.2271 |
| − | SMILES NC(=O)c(c2)c[n+1](cc2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 | + | SMILES NC(=O)c(c2)c[n+1](cc2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00455 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00455 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 1 0 0 0 0 0999 V2000
5.4791 -0.9307 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.6131 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6131 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7471 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8810 -2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7471 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2881 0.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3913 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2881 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5669 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 3.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 10 1 0 0 0 0
10 17 1 6 0 0 0
13 17 1 6 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
13 14 1 0 0 0 0
10 1 1 0 0 0 0
12 16 1 1 0 0 0
11 15 1 1 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 21 1 0 0 0 0
19 20 2 0 0 0 0
5 4 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
3 7 1 0 0 0 0
S SKP 7
ID BMMCPD--S502
NAME Nicotinamide D-ribonucleotide
FORMULA C11H16N2O8P
EXACTMASS 335.0644
AVERAGEMASS 335.2271
SMILES NC(=O)c(c2)c[n+1](cc2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00455
M END
