Mol:BMMCPYUR0001
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 1 0 0 0 0 0999 V2000 | + | 20 22 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.0823 0.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 0.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9483 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9483 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9483 1.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9483 1.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2163 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2163 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2163 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2163 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9483 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9483 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 -0.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.0823 -0.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8913 -1.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8913 -1.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8913 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8913 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3913 -2.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3913 -2.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2733 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2733 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2003 -2.3649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2003 -2.3649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7881 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7881 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1514 -2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1514 -2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 9 16 1 1 0 0 0 | + | 9 16 1 1 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 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 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 10 14 1 6 0 0 0 | + | 10 14 1 6 0 0 0 |
| − | 11 15 1 6 0 0 0 | + | 11 15 1 6 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYUR0001 | + | ID BMMCPYUR0001 |
| − | NAME | + | NAME 1- [(1R,2R,4R,5R) -7-Hydroxy-4- (hydroxymethyl) -7-oxo-3,6,8-trioxa-7λ5-phosphabicyclo [3.3.0] octan-2-yl] pyrimidine-2,4-dione |
| − | FORMULA C9H11N2O8P | + | CAS_RN 606-02-0 |
| − | EXACTMASS 306.0253 | + | FORMULA C9H11N2O8P |
| − | AVERAGEMASS 306.166 | + | EXACTMASS 306.0253 |
| − | SMILES OC[C@@H](O1)[C@@H](O3)[C@@H](OP(O)(=O)3)[C@@H]1N(C=2)C(=O)NC(=O)C2 | + | AVERAGEMASS 306.166 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02355 | + | SMILES OC[C@@H](O1)[C@@H](O3)[C@@H](OP(O)(=O)3)[C@@H]1N(C=2)C(=O)NC(=O)C2 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02355 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:10, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 1 0 0 0 0 0999 V2000
4.0823 0.1739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 1.6739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9483 0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8913 -1.4139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5823 -2.3649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8913 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3913 -2.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 -1.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2003 -2.3649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.7881 -3.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1514 -2.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 8 2 0 0 0 0
9 1 1 0 0 0 0
1 2 1 0 0 0 0
11 12 1 0 0 0 0
10 9 1 0 0 0 0
9 16 1 1 0 0 0
12 16 1 1 0 0 0
12 13 1 0 0 0 0
13 17 1 0 0 0 0
10 11 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
15 18 1 0 0 0 0
18 14 1 0 0 0 0
10 14 1 6 0 0 0
11 15 1 6 0 0 0
6 1 1 0 0 0 0
18 19 2 0 0 0 0
2 7 2 0 0 0 0
18 20 1 0 0 0 0
S SKP 7
ID BMMCPYUR0001
NAME 1- [(1R,2R,4R,5R) -7-Hydroxy-4- (hydroxymethyl) -7-oxo-3,6,8-trioxa-7λ5-phosphabicyclo [3.3.0] octan-2-yl] pyrimidine-2,4-dione
CAS_RN 606-02-0
FORMULA C9H11N2O8P
EXACTMASS 306.0253
AVERAGEMASS 306.166
SMILES OC[C@@H](O1)[C@@H](O3)[C@@H](OP(O)(=O)3)[C@@H]1N(C=2)C(=O)NC(=O)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02355
M END
