Mol:BMCCPUXAg002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 28 30 0 0 1 0 0 0 0 0999 V2000 | + | 28 30 0 0 1 0 0 0 0 0999 V2000 |
− | 10.7606 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7606 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.8946 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8946 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.8946 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8946 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7606 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7606 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6266 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6266 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6266 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6266 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.3698 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3698 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.9630 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9630 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.9685 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9685 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.4927 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4927 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2994 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.2994 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 10.5073 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.5073 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 9.6413 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.6413 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 8.8981 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.8981 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.9200 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9200 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.4208 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4208 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.5367 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5367 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.3049 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3049 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.2509 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2509 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6254 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6254 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6473 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9781 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.9344 -0.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9344 -0.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2946 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2946 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.2727 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2727 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.0648 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0648 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.4806 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4806 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
− | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
− | 9 8 1 0 0 0 0 | + | 9 8 1 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 |
− | 11 18 1 6 0 0 0 | + | 11 18 1 6 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
− | 14 18 1 6 0 0 0 | + | 14 18 1 6 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 6 10 2 0 0 0 0 | + | 6 10 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 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 |
− | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
− | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPUXAg002 | + | ID BMCCPUXAg002 |
− | NAME 5'-Butanoyl-phospho-inosine | + | NAME 5'-Butanoyl-phospho-inosine |
− | FORMULA C14H19N4O9P | + | FORMULA C14H19N4O9P |
− | EXACTMASS 418.0889 | + | EXACTMASS 418.0889 |
− | AVERAGEMASS 418.2959 | + | AVERAGEMASS 418.2959 |
− | SMILES CCCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2 | + | SMILES CCCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06435 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06435 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 1 0 0 0 0 0999 V2000 10.7606 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7606 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3698 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9630 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4927 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2994 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5073 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6413 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8981 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9200 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4208 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5367 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3049 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2509 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9781 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -0.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2727 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.0648 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4806 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 4 1 0 0 0 0 11 9 1 0 0 0 0 9 8 1 0 0 0 0 4 5 2 0 0 0 0 4 3 1 0 0 0 0 11 18 1 6 0 0 0 11 12 1 0 0 0 0 8 7 2 0 0 0 0 5 6 1 0 0 0 0 3 2 2 0 0 0 0 14 18 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 1 0 0 0 6 1 1 0 0 0 0 6 10 2 0 0 0 0 14 15 1 0 0 0 0 13 17 1 1 0 0 0 15 19 1 0 0 0 0 19 26 1 0 0 0 0 26 25 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 25 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 5 7 1 0 0 0 0 2 1 1 0 0 0 0 14 13 1 0 0 0 0 S SKP 7 ID BMCCPUXAg002 NAME 5'-Butanoyl-phospho-inosine FORMULA C14H19N4O9P EXACTMASS 418.0889 AVERAGEMASS 418.2959 SMILES CCCC(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06435 M END