Mol:BMMCHC--k022
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/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.7579 1.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7579 1.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1701 0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1701 0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1756 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1756 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8968 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2788 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2788 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5878 0.0559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.5878 0.0559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 -2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 -2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3511 2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3511 2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7524 1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7524 1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 9 2 0 0 0 0 | + | 5 9 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 8 4 1 4 0 0 0 | + | 8 4 1 4 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 1 12 2 0 0 0 0 | + | 1 12 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--k022 | + | ID BMMCHC--k022 |
| − | NAME | + | NAME 3- (2,5-Dioxoimidazolidin-4-yl) propanoic acid |
| − | FORMULA C6H8N2O4 | + | CAS_RN 5624-26-0 |
| − | EXACTMASS 172.0484 | + | FORMULA C6H8N2O4 |
| − | AVERAGEMASS 172.1388 | + | EXACTMASS 172.0484 |
| − | SMILES OC(=O)CCC(N1)C(=O)NC(=O)1 | + | AVERAGEMASS 172.1388 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05565 | + | SMILES OC(=O)CCC(N1)C(=O)NC(=O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05565 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:45, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
5.7579 1.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 -0.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 0.0559 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.0878 -2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3511 2.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7524 1.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 9 2 0 0 0 0
7 6 1 0 0 0 0
7 10 2 0 0 0 0
6 5 1 0 0 0 0
8 3 1 0 0 0 0
5 4 1 0 0 0 0
3 2 1 0 0 0 0
8 4 1 4 0 0 0
2 1 1 0 0 0 0
7 8 1 0 0 0 0
1 11 1 0 0 0 0
1 12 2 0 0 0 0
S SKP 7
ID BMMCHC--k022
NAME 3- (2,5-Dioxoimidazolidin-4-yl) propanoic acid
CAS_RN 5624-26-0
FORMULA C6H8N2O4
EXACTMASS 172.0484
AVERAGEMASS 172.1388
SMILES OC(=O)CCC(N1)C(=O)NC(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05565
M END
