Mol:BMAXS6ANq001
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.7321 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -2.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -2.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 14 1 4 0 0 0 | + | 3 14 1 4 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 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 BMAXS6ANq001 | + | ID BMAXS6ANq001 |
| − | NAME | + | NAME [(5S) -5-Amino-4,6-dihydroxy-6-oxohexyl] -trimethylazanium |
| − | FORMULA C9H21N2O3 | + | CAS_RN 75056-20-1 |
| − | EXACTMASS 205.1552 | + | FORMULA C9H21N2O3 |
| − | AVERAGEMASS 205.2747 | + | EXACTMASS 205.1552 |
| − | SMILES OC(=O)[C@@H](N)C(O)CCC[N+1](C)(C)C | + | AVERAGEMASS 205.2747 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01259 | + | SMILES OC(=O)[C@@H](N)C(O)CCC[N+1](C)(C)C |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01259 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:30, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
5.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 13 1 0 0 0 0
2 7 1 6 0 0 0
2 3 1 0 0 0 0
3 14 1 4 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
1 12 2 0 0 0 0
S SKP 7
ID BMAXS6ANq001
NAME [(5S) -5-Amino-4,6-dihydroxy-6-oxohexyl] -trimethylazanium
CAS_RN 75056-20-1
FORMULA C9H21N2O3
EXACTMASS 205.1552
AVERAGEMASS 205.2747
SMILES OC(=O)[C@@H](N)C(O)CCC[N+1](C)(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01259
M END
