Mol:BMCCPUGU0001
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 1 0 0 0 0 0999 V2000 | + | 23 26 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.1383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.1383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 1.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 1.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 0.6602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 0.6602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 -0.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -0.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -1.0611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.9854 -1.0611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8514 -1.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8514 -1.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5945 -0.8920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -0.8920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5727 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5727 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2422 -1.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2422 -1.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6435 -2.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6435 -2.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1878 0.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 0.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2418 -0.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2418 -0.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6489 -2.6438 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6489 -2.6438 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7354 -3.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7354 -3.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7535 -3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7535 -3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 15 19 1 6 0 0 0 | + | 15 19 1 6 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 12 9 1 0 0 0 0 | + | 12 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 13 17 1 1 0 0 0 | + | 13 17 1 1 0 0 0 |
| − | 14 18 1 1 0 0 0 | + | 14 18 1 1 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 12 19 1 6 0 0 0 | + | 12 19 1 6 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUGU0001 | + | ID BMCCPUGU0001 |
| − | NAME 2 | + | NAME 2-Amino-9- [(1R,2R,4R,5R) -7-hydroxy-4- (hydroxymethyl) -7-oxo-3,6,8-trioxa-7λ5-phosphabicyclo [3.3.0]octan-2-yl] -3H-purin-6-one |
| − | FORMULA C10H12N5O7P | + | CAS_RN 634-02-6 |
| − | EXACTMASS 345.0474 | + | FORMULA C10H12N5O7P |
| − | AVERAGEMASS 345.2055 | + | EXACTMASS 345.0474 |
| − | SMILES OC[C@@H](O1)[C@@H](O4)[C@@H](OP(O)(=O)4)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2 | + | AVERAGEMASS 345.2055 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06194 | + | SMILES OC[C@@H](O1)[C@@H](O4)[C@@H](OP(O)(=O)4)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06194 | ||
M END | M END | ||
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Latest revision as of 11:55, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 1 0 0 0 0 0999 V2000
3.7321 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.1383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 1.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.6602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.6383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -1.0611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -1.5611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -0.8920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -1.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2422 -1.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6435 -2.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 0.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -0.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6489 -2.6438 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.7354 -3.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7535 -3.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
8 7 2 0 0 0 0
15 19 1 6 0 0 0
15 16 1 0 0 0 0
5 6 1 0 0 0 0
16 20 1 0 0 0 0
3 2 2 0 0 0 0
6 1 1 0 0 0 0
6 11 2 0 0 0 0
5 7 1 0 0 0 0
14 15 1 0 0 0 0
2 10 1 0 0 0 0
13 14 1 0 0 0 0
2 1 1 0 0 0 0
12 9 1 0 0 0 0
9 4 1 0 0 0 0
9 8 1 0 0 0 0
18 21 1 0 0 0 0
21 17 1 0 0 0 0
13 17 1 1 0 0 0
14 18 1 1 0 0 0
13 12 1 0 0 0 0
21 23 1 0 0 0 0
12 19 1 6 0 0 0
21 22 2 0 0 0 0
S SKP 7
ID BMCCPUGU0001
NAME 2-Amino-9- [(1R,2R,4R,5R) -7-hydroxy-4- (hydroxymethyl) -7-oxo-3,6,8-trioxa-7λ5-phosphabicyclo [3.3.0]octan-2-yl] -3H-purin-6-one
CAS_RN 634-02-6
FORMULA C10H12N5O7P
EXACTMASS 345.0474
AVERAGEMASS 345.2055
SMILES OC[C@@H](O1)[C@@H](O4)[C@@H](OP(O)(=O)4)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC(N)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06194
M END
