Mol:BMMCHC--k021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 17 0 0 1 0 0 0 0 0999 V2000 | + | 17 17 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8660 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0249 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0249 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4392 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4392 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0249 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0249 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 6 1 0 0 0 0 | + | 13 6 1 0 0 0 0 |
| − | 2 1 1 6 0 0 0 | + | 2 1 1 6 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 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 |
| − | 2 6 1 0 0 0 0 | + | 2 6 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 15 2 0 0 0 0 | + | 1 15 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
| − | 3 17 1 6 0 0 0 | + | 3 17 1 6 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 14 2 0 0 0 0 | + | 11 14 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCHC--k021 | + | ID BMMCHC--k021 |
| − | NAME | + | NAME (2S,3R) -5- (Diaminomethylideneamino) -3-hydroxy-2- (2-oxoazetidin-1-yl) pentanoic acid |
| − | FORMULA C9H16N4O4 | + | CAS_RN 148601-28-9 |
| − | EXACTMASS 244.1171 | + | FORMULA C9H16N4O4 |
| − | AVERAGEMASS 244.2479 | + | EXACTMASS 244.1171 |
| − | SMILES NC(=N)NCC[C@@H](O)[C@@H](C(O)=O)N(C1)C(=O)C1 | + | AVERAGEMASS 244.2479 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06657 | + | SMILES NC(=N)NCC[C@@H](O)[C@@H](C(O)=O)N(C1)C(=O)C1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06657 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:44, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
17 17 0 0 1 0 0 0 0 0999 V2000
2.8660 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.9571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.4571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4392 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0249 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 13 1 0 0 0 0
13 6 1 0 0 0 0
2 1 1 6 0 0 0
3 4 1 0 0 0 0
1 16 1 0 0 0 0
4 5 1 0 0 0 0
5 7 1 0 0 0 0
2 6 1 0 0 0 0
7 8 1 0 0 0 0
1 15 2 0 0 0 0
8 10 1 0 0 0 0
2 3 1 0 0 0 0
8 9 2 0 0 0 0
6 11 1 0 0 0 0
3 17 1 6 0 0 0
11 12 1 0 0 0 0
11 14 2 0 0 0 0
S SKP 7
ID BMMCHC--k021
NAME (2S,3R) -5- (Diaminomethylideneamino) -3-hydroxy-2- (2-oxoazetidin-1-yl) pentanoic acid
CAS_RN 148601-28-9
FORMULA C9H16N4O4
EXACTMASS 244.1171
AVERAGEMASS 244.2479
SMILES NC(=N)NCC[C@@H](O)[C@@H](C(O)=O)N(C1)C(=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06657
M END
