Mol:BMAXS5ANj007
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 18 0 0 1 0 0 0 0 0999 V2000 | + | 19 18 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 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 |
| − | 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.0000 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 | + | 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 11 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 14 18 2 0 0 0 0 | + | 14 18 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 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 15 2 0 0 0 0 | + | 1 15 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 |
| − | 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 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS5ANj007 | + | ID BMAXS5ANj007 |
| − | NAME | + | NAME (2S) -5- (Diaminomethylideneamino) -2- [(4-hydroxy-4-oxobutanoyl) amino] pentanoic acid |
| − | FORMULA C10H18N4O5 | + | CAS_RN 2478-02-6 |
| − | EXACTMASS 274.1277 | + | FORMULA C10H18N4O5 |
| − | AVERAGEMASS 274.2738 | + | EXACTMASS 274.1277 |
| − | SMILES NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O | + | AVERAGEMASS 274.2738 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03296 | + | SMILES NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03296 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:26, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 1 0 0 0 0 0999 V2000
8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 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
3.7321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.0000 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 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13 12 1 0 0 0 0
11 6 1 0 0 0 0
11 17 2 0 0 0 0
12 11 1 0 0 0 0
14 19 1 0 0 0 0
14 18 2 0 0 0 0
13 14 1 0 0 0 0
2 6 1 1 0 0 0
2 1 1 0 0 0 0
1 15 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
8 10 2 0 0 0 0
8 9 1 0 0 0 0
7 8 1 0 0 0 0
1 16 1 0 0 0 0
S SKP 7
ID BMAXS5ANj007
NAME (2S) -5- (Diaminomethylideneamino) -2- [(4-hydroxy-4-oxobutanoyl) amino] pentanoic acid
CAS_RN 2478-02-6
FORMULA C10H18N4O5
EXACTMASS 274.1277
AVERAGEMASS 274.2738
SMILES NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03296
M END
