Mol:BMCCPUXA0010
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 1 0 0 0 0 0999 V2000 | + | 27 29 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 4.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 1.8345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 1.8345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 1.0255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 1.0255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 0.2823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 0.2823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9854 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8514 -1.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8514 -1.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5945 -0.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -0.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5727 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5727 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9559 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1878 0.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 0.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8817 -1.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8817 -1.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8598 -1.8936 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8598 -1.8936 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6519 -2.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6519 -2.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0678 -0.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0678 -0.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8380 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8380 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1470 -3.0526 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1470 -3.0526 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1959 -3.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1959 -3.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0981 -2.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0981 -2.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4560 -4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4560 -4.0036 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 |
| − | 12 18 1 6 0 0 0 | + | 12 18 1 6 0 0 0 |
| − | 15 18 1 6 0 0 0 | + | 15 18 1 6 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 12 9 1 0 0 0 0 | + | 12 9 1 0 0 0 0 |
| − | 14 17 1 1 0 0 0 | + | 14 17 1 1 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 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
| − | 2 10 2 0 0 0 0 | + | 2 10 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 2 0 0 0 0 | + | 24 27 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUXA0010 | + | ID BMCCPUXA0010 |
| − | NAME | + | NAME [(2R,3S,5R) -5- (2,6-Dioxo-3H-purin-9-yl) -3-hydroxyoxolan-2-yl] methyl phosphono hydrogen phosphate |
| − | FORMULA C10H14N4O11P2 | + | CAS_RN 130582-48-8 |
| − | EXACTMASS 428.0134 | + | FORMULA C10H14N4O11P2 |
| − | AVERAGEMASS 428.186 | + | EXACTMASS 428.0134 |
| − | SMILES O=C(N3)Nc(c2C(=O)3)n(cn2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)1 | + | AVERAGEMASS 428.186 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01347 | + | SMILES O=C(N3)Nc(c2C(=O)3)n(cn2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01347 | ||
M END | M END | ||
| − | |||
Latest revision as of 11:57, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 1 0 0 0 0 0999 V2000
3.7321 4.0036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 1.8345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 1.0255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 0.2823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8514 -1.1958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -0.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 0.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8817 -1.6857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8598 -1.8936 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.6519 -2.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0678 -0.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8380 -2.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1470 -3.0526 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.1959 -3.3616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0981 -2.7435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4560 -4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 13 1 0 0 0 0
12 18 1 6 0 0 0
15 18 1 6 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
15 16 1 0 0 0 0
12 9 1 0 0 0 0
14 17 1 1 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
5 6 1 0 0 0 0
5 4 2 0 0 0 0
4 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 5 1 0 0 0 0
6 11 2 0 0 0 0
2 10 2 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 23 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 27 2 0 0 0 0
S SKP 7
ID BMCCPUXA0010
NAME [(2R,3S,5R) -5- (2,6-Dioxo-3H-purin-9-yl) -3-hydroxyoxolan-2-yl] methyl phosphono hydrogen phosphate
CAS_RN 130582-48-8
FORMULA C10H14N4O11P2
EXACTMASS 428.0134
AVERAGEMASS 428.186
SMILES O=C(N3)Nc(c2C(=O)3)n(cn2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01347
M END
