Mol:BMAXS5AMt006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 19 0 0 1 0 0 0 0 0999 V2000 | + | 19 19 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 17 2 0 0 0 0 | + | 1 17 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 5 18 2 0 0 0 0 | + | 5 18 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 15 19 2 0 0 0 0 | + | 15 19 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 15 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 14 8 1 0 0 0 0 | + | 14 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS5AMt006 | + | ID BMAXS5AMt006 |
| − | NAME N-Phenyl-acetyl-L-glutamine | + | NAME N-Phenyl-acetyl-L-glutamine |
| − | FORMULA C13H16N2O4 | + | FORMULA C13H16N2O4 |
| − | EXACTMASS 264.111 | + | EXACTMASS 264.111 |
| − | AVERAGEMASS 264.2772 | + | AVERAGEMASS 264.2772 |
| − | SMILES NC(=O)CC[C@@H](C(O)=O)NC(=O)Cc(c1)cccc1 | + | SMILES NC(=O)CC[C@@H](C(O)=O)NC(=O)Cc(c1)cccc1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04148 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04148 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 6 1 1 0 0 0
2 1 1 0 0 0 0
1 17 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
5 18 2 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
1 16 1 0 0 0 0
15 19 2 0 0 0 0
15 14 1 0 0 0 0
6 15 1 0 0 0 0
8 13 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
14 8 1 0 0 0 0
S SKP 7
ID BMAXS5AMt006
NAME N-Phenyl-acetyl-L-glutamine
FORMULA C13H16N2O4
EXACTMASS 264.111
AVERAGEMASS 264.2772
SMILES NC(=O)CC[C@@H](C(O)=O)NC(=O)Cc(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04148
M END
