Mol:BMFYB7DAi003
From Metabolomics.JP
(Difference between revisions)
| (One intermediate revision by one user not shown) | |||
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 15 0 0 1 0 0 0 0 0999 V2000 | + | 16 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 14 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 1 12 2 0 0 0 0 | + | 1 12 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 6 13 2 0 0 0 0 | + | 6 13 2 0 0 0 0 |
| − | 15 7 1 0 0 0 0 | + | 15 7 1 0 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 9 16 2 0 0 0 0 | + | 9 16 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB7DAi003 | + | ID BMFYB7DAi003 |
| − | NAME | + | NAME (2S) -2-Acetamido-6-oxoheptanedioic acid |
| − | FORMULA C9H13NO6 | + | CAS_RN 178859-78-4 |
| − | EXACTMASS 231.0742 | + | FORMULA C9H13NO6 |
| − | AVERAGEMASS 231.2026 | + | EXACTMASS 231.0742 |
| − | SMILES CC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O | + | AVERAGEMASS 231.2026 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05539 | + | SMILES CC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05539 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:00, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
5 4 1 0 0 0 0
7 14 2 0 0 0 0
7 6 1 0 0 0 0
1 12 2 0 0 0 0
4 3 1 0 0 0 0
6 13 2 0 0 0 0
15 7 1 0 0 0 0
2 8 1 1 0 0 0
2 3 1 0 0 0 0
8 9 1 0 0 0 0
6 5 1 0 0 0 0
9 10 1 0 0 0 0
2 1 1 0 0 0 0
9 16 2 0 0 0 0
S SKP 7
ID BMFYB7DAi003
NAME (2S) -2-Acetamido-6-oxoheptanedioic acid
CAS_RN 178859-78-4
FORMULA C9H13NO6
EXACTMASS 231.0742
AVERAGEMASS 231.2026
SMILES CC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05539
M END
