Mol:BMAXS4ANt002
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 22 0 0 1 0 0 0 0 0999 V2000 | + | 22 22 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 8 1 4 0 0 0 | + | 4 8 1 4 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 21 2 0 0 0 0 | + | 3 21 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 13 18 2 0 0 0 0 | + | 13 18 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 19 22 2 0 0 0 0 | + | 19 22 2 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS4ANt002 | + | ID BMAXS4ANt002 |
| − | NAME | + | NAME Ethyl (2R) -2- (benzoylamino) -5- (diaminomethylideneamino) pentanoic acid |
| − | FORMULA C15H22N4O3 | + | CAS_RN 971-21-1 |
| − | EXACTMASS 306.1691 | + | FORMULA C15H22N4O3 |
| − | AVERAGEMASS 306.3603 | + | EXACTMASS 306.1691 |
| − | SMILES CCOC(=O)C(CCCNC(N)=N)NC(=O)c(c1)cccc1 | + | AVERAGEMASS 306.3603 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01670 | + | SMILES CCOC(=O)C(CCCNC(N)=N)NC(=O)c(c1)cccc1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01670 | ||
M END | M END | ||
| − | |||
Latest revision as of 11:50, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
22 22 0 0 1 0 0 0 0 0999 V2000
2.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 8 1 4 0 0 0
4 3 1 0 0 0 0
3 21 2 0 0 0 0
4 5 1 0 0 0 0
6 5 1 0 0 0 0
6 7 1 0 0 0 0
7 9 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
9 10 1 0 0 0 0
8 19 1 0 0 0 0
13 18 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
19 13 1 0 0 0 0
19 22 2 0 0 0 0
3 20 1 0 0 0 0
20 2 1 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMAXS4ANt002
NAME Ethyl (2R) -2- (benzoylamino) -5- (diaminomethylideneamino) pentanoic acid
CAS_RN 971-21-1
FORMULA C15H22N4O3
EXACTMASS 306.1691
AVERAGEMASS 306.3603
SMILES CCOC(=O)C(CCCNC(N)=N)NC(=O)c(c1)cccc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01670
M END
