Mol:BMCCPUAP0017
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 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2200 -1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2200 -1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0120 -2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0120 -2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4279 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4279 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1981 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1981 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8672 -0.5708 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8672 -0.5708 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6104 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6104 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1241 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1241 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5364 0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5364 0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 18 1 6 0 0 0 | + | 11 18 1 6 0 0 0 |
| − | 13 17 1 1 0 0 0 | + | 13 17 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 14 18 1 6 0 0 0 | + | 14 18 1 6 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 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 BMCCPUAP0017 | + | ID BMCCPUAP0017 |
| − | NAME | + | NAME [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methyl selenono hydrogen phosphate |
| − | FORMULA C10H14N5O10PSe | + | CAS_RN 90120-86-8 |
| − | EXACTMASS 474.9643 | + | FORMULA C10H14N5O10PSe |
| − | AVERAGEMASS 474.1796 | + | EXACTMASS 474.9643 |
| − | SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)O[Se](O)(=O)=O)1 | + | AVERAGEMASS 474.1796 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05686 | + | SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)O[Se](O)(=O)=O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05686 | ||
M END | M END | ||
| − | |||
Latest revision as of 10:22, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 1 0 0 0 0 0999 V2000
3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2200 -1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0120 -2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4279 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1981 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8672 -0.5708 0.0000 Se 0 0 0 0 0 0 0 0 0 0 0 0
10.6104 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1241 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5364 0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 18 1 6 0 0 0
13 17 1 1 0 0 0
15 19 1 0 0 0 0
12 16 1 1 0 0 0
14 18 1 6 0 0 0
19 20 1 0 0 0 0
14 13 1 0 0 0 0
20 21 2 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
13 12 1 0 0 0 0
20 23 1 0 0 0 0
12 11 1 0 0 0 0
20 22 1 0 0 0 0
5 4 1 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
23 24 1 0 0 0 0
6 10 1 0 0 0 0
11 9 1 0 0 0 0
14 15 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
24 27 2 0 0 0 0
S SKP 7
ID BMCCPUAP0017
NAME [(2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -3,4-dihydroxyoxolan-2-yl] methyl selenono hydrogen phosphate
CAS_RN 90120-86-8
FORMULA C10H14N5O10PSe
EXACTMASS 474.9643
AVERAGEMASS 474.1796
SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)O[Se](O)(=O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05686
M END
