Mol:BMMCPYURq003
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 19 0 0 1 0 0 0 0 0999 V2000 | + | 19 19 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 13 1 0 0 0 0 | + | 5 13 1 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 19 2 0 0 0 0 | + | 6 19 2 0 0 0 0 |
| − | 2 14 2 0 0 0 0 | + | 2 14 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 9 15 1 1 0 0 0 | + | 9 15 1 1 0 0 0 |
| − | 10 16 1 6 0 0 0 | + | 10 16 1 6 0 0 0 |
| − | 11 17 1 1 0 0 0 | + | 11 17 1 1 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYURq003 | + | ID BMMCPYURq003 |
| − | NAME | + | NAME 5-Amino-6- (2,3,4,5-tetrahydroxypentylamino) -1H-pyrimidine-2,4-dione |
| − | FORMULA C9H16N4O6 | + | CAS_RN 17014-74-3 |
| − | EXACTMASS 276.1069 | + | FORMULA C9H16N4O6 |
| − | AVERAGEMASS 276.2467 | + | EXACTMASS 276.1069 |
| − | SMILES OC[C@H](O)[C@H](O)[C@H](O)CNC(N1)=C(N)C(=O)NC(=O)1 | + | AVERAGEMASS 276.2467 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04732 | + | SMILES OC[C@H](O)[C@H](O)[C@H](O)CNC(N1)=C(N)C(=O)NC(=O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04732 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:13, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
4.5981 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 13 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 19 2 0 0 0 0
2 14 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 18 1 0 0 0 0
9 15 1 1 0 0 0
10 16 1 6 0 0 0
11 17 1 1 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCPYURq003
NAME 5-Amino-6- (2,3,4,5-tetrahydroxypentylamino) -1H-pyrimidine-2,4-dione
CAS_RN 17014-74-3
FORMULA C9H16N4O6
EXACTMASS 276.1069
AVERAGEMASS 276.2467
SMILES OC[C@H](O)[C@H](O)[C@H](O)CNC(N1)=C(N)C(=O)NC(=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04732
M END
