Mol:BMMCIZ--k010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 11 0 0 1 0 0 0 0 0999 V2000 | + | 11 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8090 -0.1807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -0.1807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3090 1.3582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 1.3582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3090 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3090 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 0.4071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.6180 0.4071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7770 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7770 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7281 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7281 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8968 2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8968 2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4712 -0.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4712 -0.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9360 -2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9360 -2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 5 1 1 4 0 0 0 | + | 5 1 1 4 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 4 9 2 0 0 0 0 | + | 4 9 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCIZ--k010 | + | ID BMMCIZ--k010 |
| − | NAME 4- | + | NAME 3- (5-Oxo-1,4-dihydroimidazol-4-yl) propanoic acid |
| − | FORMULA C6H8N2O3 | + | CAS_RN 17340-16-8 |
| − | EXACTMASS 156.0534 | + | FORMULA C6H8N2O3 |
| − | AVERAGEMASS 156.1394 | + | EXACTMASS 156.0534 |
| − | SMILES OC(=O)CCC(N1)C(=O)N=C1 | + | AVERAGEMASS 156.1394 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03680 | + | SMILES OC(=O)CCC(N1)C(=O)N=C1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03680 | ||
M END | M END | ||
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Latest revision as of 17:51, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
2.8090 -0.1807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3090 1.3582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 1.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 0.4071 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5691 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7770 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7281 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 -0.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9360 -2.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 2 0 0 0 0
5 1 1 4 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
2 1 1 0 0 0 0
4 9 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
S SKP 7
ID BMMCIZ--k010
NAME 3- (5-Oxo-1,4-dihydroimidazol-4-yl) propanoic acid
CAS_RN 17340-16-8
FORMULA C6H8N2O3
EXACTMASS 156.0534
AVERAGEMASS 156.1394
SMILES OC(=O)CCC(N1)C(=O)N=C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03680
M END
