Mol:BMMCPYURq007
From Metabolomics.JP
(Difference between revisions)
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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 |
| − | 3.7321 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.2500 0.0000 C 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 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 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 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 13 17 1 6 0 0 0 | + | 13 17 1 6 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 14 18 1 1 0 0 0 | + | 14 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | ID BMMCPYURq007 | + | ID BMMCPYURq007 |
| − | NAME 5-Amino-6- | + | 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 |
| + | SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)CNC(N1)=C(N)C(=O)NC(=O)1 | ||
| + | SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)CNC(N1)=C(N)C(=O)NC(=O)1 | ||
M END | M END | ||
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Latest revision as of 18:14, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
19 19 0 0 1 0 0 0 0 0999 V2000
3.7321 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 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 -3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 2.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
4 8 2 0 0 0 0
2 7 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
12 16 1 1 0 0 0
13 17 1 6 0 0 0
14 15 1 0 0 0 0
14 18 1 1 0 0 0
15 19 1 0 0 0 0
S SKP 7
ID BMMCPYURq007
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
SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)CNC(N1)=C(N)C(=O)NC(=O)1
M END
