Mol:BMFYB4ESb012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9641 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9641 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9641 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9641 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 14 2 0 0 0 0 | + | 9 14 2 0 0 0 0 |
| − | 1 12 2 0 0 0 0 | + | 1 12 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 3 13 1 1 0 0 0 | + | 3 13 1 1 0 0 0 |
| − | 5 8 1 0 0 0 0 | + | 5 8 1 0 0 0 0 |
| − | 11 1 1 0 0 0 0 | + | 11 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 13 9 1 0 0 0 0 | + | 13 9 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB4ESb012 | + | ID BMFYB4ESb012 |
| − | NAME O-Acetyl-L-carnitine | + | NAME O-Acetyl-L-carnitine |
| − | FORMULA C9H18NO4 | + | FORMULA C9H18NO4 |
| − | EXACTMASS 204.1235 | + | EXACTMASS 204.1235 |
| − | AVERAGEMASS 204.2435 | + | AVERAGEMASS 204.2435 |
| − | SMILES CC(=O)O[C@@H](CC(O)=O)C[N+1](C)(C)C | + | SMILES CC(=O)O[C@@H](CC(O)=O)C[N+1](C)(C)C |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02571 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02571 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
5.4641 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.3170 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.9641 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -0.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
9 10 1 0 0 0 0
9 14 2 0 0 0 0
1 12 2 0 0 0 0
3 4 1 0 0 0 0
1 2 1 0 0 0 0
4 5 1 0 0 0 0
3 13 1 1 0 0 0
5 8 1 0 0 0 0
11 1 1 0 0 0 0
5 6 1 0 0 0 0
13 9 1 0 0 0 0
5 7 1 0 0 0 0
S SKP 7
ID BMFYB4ESb012
NAME O-Acetyl-L-carnitine
FORMULA C9H18NO4
EXACTMASS 204.1235
AVERAGEMASS 204.2435
SMILES CC(=O)O[C@@H](CC(O)=O)C[N+1](C)(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02571
M END
