Mol:BMMCPYUR0011
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 29 0 0 1 0 0 0 0 0999 V2000 | + | 28 29 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.6437 -1.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6437 -1.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7777 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7777 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7777 -3.1352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7777 -3.1352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6437 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6437 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5097 -3.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5097 -3.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5097 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5097 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9117 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9117 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6437 -4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6437 -4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6437 -0.6352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.6437 -0.6352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.4527 -0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4527 -0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.5559 1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5559 1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7315 1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7315 1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8347 -0.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8347 -0.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5614 1.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5614 1.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9736 2.4172 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9736 2.4172 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7826 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7826 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3858 3.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3858 3.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3913 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4959 2.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4959 2.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 4.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 4.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3968 3.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3968 3.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 3.8262 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 3.8262 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 4.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 4.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 25 28 2 0 0 0 0 | + | 25 28 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 17 19 2 0 0 0 0 | + | 17 19 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 12 15 1 6 0 0 0 | + | 12 15 1 6 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 0 0 0 |
| − | 11 14 1 1 0 0 0 | + | 11 14 1 1 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 |
| − | 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 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYUR0011 | + | ID BMMCPYUR0011 |
| − | NAME dUTP | + | NAME dUTP |
| − | FORMULA C9H15N2O14P3 | + | CAS_RN [(2R,3S,5R) -5- (2,4-Dioxopyrimidin-1-yl) -3-hydroxyoxolan-2-yl] methyl [hydroxy(phosphonooxy) phosphoryl] hydrogen phosphate |
| − | EXACTMASS 467.9736 | + | FORMULA C9H15N2O14P3 |
| − | AVERAGEMASS 468.1417 | + | EXACTMASS 467.9736 |
| − | SMILES O=C(C=2)NC(=O)N(C2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1 | + | AVERAGEMASS 468.1417 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00460 | + | SMILES O=C(C=2)NC(=O)N(C2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00460 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:11, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 1 0 0 0 0 0999 V2000
8.6437 -1.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7777 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7777 -3.1352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6437 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5097 -3.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5097 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9117 -1.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6437 -4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6437 -0.6352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4527 -0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1437 0.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5559 1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7315 1.7127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8347 -0.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5614 1.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9736 2.4172 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7826 3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3858 3.2262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.4959 2.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 4.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 3.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.8262 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 4.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 4.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21 22 1 0 0 0 0
17 18 1 0 0 0 0
21 23 2 0 0 0 0
17 20 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
16 17 1 0 0 0 0
20 21 1 0 0 0 0
25 28 2 0 0 0 0
25 26 1 0 0 0 0
17 19 2 0 0 0 0
25 27 1 0 0 0 0
12 15 1 6 0 0 0
9 15 1 6 0 0 0
11 14 1 1 0 0 0
12 13 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
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
9 1 1 0 0 0 0
2 7 2 0 0 0 0
4 8 2 0 0 0 0
11 10 1 0 0 0 0
11 12 1 0 0 0 0
9 10 1 0 0 0 0
13 16 1 0 0 0 0
S SKP 7
ID BMMCPYUR0011
NAME dUTP
CAS_RN [(2R,3S,5R) -5- (2,4-Dioxopyrimidin-1-yl) -3-hydroxyoxolan-2-yl] methyl [hydroxy(phosphonooxy) phosphoryl] hydrogen phosphate
FORMULA C9H15N2O14P3
EXACTMASS 467.9736
AVERAGEMASS 468.1417
SMILES O=C(C=2)NC(=O)N(C2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00460
M END
