Mol:BMMCPYCTq006
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 34 0 0 1 0 0 0 0 0999 V2000 | + | 33 34 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.9945 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 4.1784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 4.1784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.1701 3.3694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1701 3.3694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3913 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7733 3.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7733 3.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7634 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7634 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7524 2.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7524 2.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9993 -1.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9993 -1.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1333 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1333 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1333 -3.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1333 -3.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9993 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9993 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8653 -3.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8653 -3.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8653 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8653 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2673 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2673 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9993 -4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9993 -4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9993 -0.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.9993 -0.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.8083 -0.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.8083 -0.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.9115 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9115 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8083 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8083 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.0871 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0871 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1903 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1903 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9170 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9170 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3292 2.0649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3292 2.0649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5202 1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5202 1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1382 2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1382 2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7414 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7414 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7469 2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7469 2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8514 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8514 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6424 3.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6424 3.7639 0.0000 O 0 0 0 0 0 0 0 0 0 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 |
| − | 2 5 1 1 0 0 0 | + | 2 5 1 1 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 3 8 1 1 0 0 0 | + | 3 8 1 1 0 0 0 |
| − | 9 31 1 0 0 0 0 | + | 9 31 1 0 0 0 0 |
| − | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
| − | 30 27 1 0 0 0 0 | + | 30 27 1 0 0 0 0 |
| − | 27 26 1 0 0 0 0 | + | 27 26 1 0 0 0 0 |
| − | 26 22 1 0 0 0 0 | + | 26 22 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 18 25 1 6 0 0 0 | + | 18 25 1 6 0 0 0 |
| − | 21 25 1 6 0 0 0 | + | 21 25 1 6 0 0 0 |
| − | 20 24 1 1 0 0 0 | + | 20 24 1 1 0 0 0 |
| − | 19 23 1 1 0 0 0 | + | 19 23 1 1 0 0 0 |
| − | 18 10 1 0 0 0 0 | + | 18 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 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 11 16 2 0 0 0 0 | + | 11 16 2 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTq006 | + | ID BMMCPYCTq006 |
| − | NAME | + | NAME [(2R,3S,4R,5R) -5- (4-Amino-2-oxopyrimidin-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl [hydroxy- [(2R,3S) -2,3,4-trihydroxy-3-methylbutoxy] pho |
| − | FORMULA C14H25N3O14P2 | + | CAS_RN 263016-94-0 |
| − | EXACTMASS 521.0811 | + | FORMULA C14H25N3O14P2 |
| − | AVERAGEMASS 521.3076 | + | EXACTMASS 521.0811 |
| − | SMILES OC[C@@](C)(O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 | + | AVERAGEMASS 521.3076 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11435 | + | SMILES OC[C@@](C)(O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11435 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:09, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
33 34 0 0 1 0 0 0 0 0999 V2000
2.9945 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 4.1784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1701 3.3694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1646 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 3.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 2.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -1.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1333 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1333 -3.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8653 -3.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8653 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2673 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -0.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.8083 -0.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9115 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8083 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0871 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1903 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9170 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3292 2.0649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.5202 1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1382 2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8514 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6424 3.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 5 1 1 0 0 0
2 7 1 6 0 0 0
3 4 1 0 0 0 0
4 9 1 0 0 0 0
3 8 1 1 0 0 0
9 31 1 0 0 0 0
31 30 1 0 0 0 0
30 27 1 0 0 0 0
27 26 1 0 0 0 0
26 22 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
21 22 1 0 0 0 0
21 20 1 0 0 0 0
20 19 1 0 0 0 0
19 18 1 0 0 0 0
18 25 1 6 0 0 0
21 25 1 6 0 0 0
20 24 1 1 0 0 0
19 23 1 1 0 0 0
18 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
11 16 2 0 0 0 0
13 17 1 0 0 0 0
S SKP 7
ID BMMCPYCTq006
NAME [(2R,3S,4R,5R) -5- (4-Amino-2-oxopyrimidin-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl [hydroxy- [(2R,3S) -2,3,4-trihydroxy-3-methylbutoxy] pho
CAS_RN 263016-94-0
FORMULA C14H25N3O14P2
EXACTMASS 521.0811
AVERAGEMASS 521.3076
SMILES OC[C@@](C)(O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11435
M END
