Mol:BMMCPYCTq003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 37 38 0 0 1 0 0 0 0 0999 V2000 | + | 37 38 0 0 1 0 0 0 0 0999 V2000 |
− | 2.9135 2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7226 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7226 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 4.3103 2.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.3103 2.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 5.3049 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3049 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5316 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5316 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 3.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1348 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1348 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5415 4.9874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5415 4.9874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4551 4.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4551 4.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6280 5.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6280 5.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9483 5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9483 5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9036 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9036 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.8927 1.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8927 1.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1396 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1396 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2736 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2736 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2736 -4.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2736 -4.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1396 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1396 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.0056 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0056 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.0056 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0056 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.4075 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4075 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1396 -5.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1396 -5.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1396 -1.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.1396 -1.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 11.9486 -1.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.9486 -1.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 11.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 10.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 10.0518 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0518 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.9486 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.9486 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.2274 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.2274 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.3306 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.3306 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0573 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0573 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.4695 1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4695 1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.6605 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6605 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2785 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2785 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.8817 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8817 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.8872 1.8559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8872 1.8559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9917 0.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9917 0.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7826 2.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7826 2.8504 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 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
− | 3 12 1 1 0 0 0 | + | 3 12 1 1 0 0 0 |
− | 13 35 1 0 0 0 0 | + | 13 35 1 0 0 0 0 |
− | 35 34 1 0 0 0 0 | + | 35 34 1 0 0 0 0 |
− | 34 31 1 0 0 0 0 | + | 34 31 1 0 0 0 0 |
− | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
− | 30 26 1 0 0 0 0 | + | 30 26 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 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 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 25 24 1 0 0 0 0 | + | 25 24 1 0 0 0 0 |
− | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
− | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
− | 22 29 1 6 0 0 0 | + | 22 29 1 6 0 0 0 |
− | 25 29 1 6 0 0 0 | + | 25 29 1 6 0 0 0 |
− | 24 28 1 1 0 0 0 | + | 24 28 1 1 0 0 0 |
− | 23 27 1 1 0 0 0 | + | 23 27 1 1 0 0 0 |
− | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
− | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
− | 15 20 2 0 0 0 0 | + | 15 20 2 0 0 0 0 |
− | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMMCPYCTq003 | + | ID BMMCPYCTq003 |
− | NAME 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol | + | NAME 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol |
− | FORMULA C14H26N3O17P3 | + | FORMULA C14H26N3O17P3 |
− | EXACTMASS 601.0475 | + | EXACTMASS 601.0475 |
− | AVERAGEMASS 601.2875 | + | AVERAGEMASS 601.2875 |
− | SMILES OC[C@](C)([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)OP(O)(O)=O | + | SMILES OC[C@](C)([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)OP(O)(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11436 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11436 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 37 38 0 0 1 0 0 0 0 0999 V2000 2.9135 2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3103 2.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3049 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1348 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5415 4.9874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4551 4.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 5.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9483 5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9036 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8927 1.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1396 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2736 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2736 -4.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1396 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0056 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0056 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4075 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1396 -5.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1396 -1.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9486 -1.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0518 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9486 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2274 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3306 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0573 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4695 1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.6605 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8817 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 1.8559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 0.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 2.8504 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 13 1 0 0 0 0 3 12 1 1 0 0 0 13 35 1 0 0 0 0 35 34 1 0 0 0 0 34 31 1 0 0 0 0 31 30 1 0 0 0 0 30 26 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 25 26 1 0 0 0 0 25 24 1 0 0 0 0 24 23 1 0 0 0 0 23 22 1 0 0 0 0 22 29 1 6 0 0 0 25 29 1 6 0 0 0 24 28 1 1 0 0 0 23 27 1 1 0 0 0 22 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 15 20 2 0 0 0 0 17 21 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 S SKP 7 ID BMMCPYCTq003 NAME 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol FORMULA C14H26N3O17P3 EXACTMASS 601.0475 AVERAGEMASS 601.2875 SMILES OC[C@](C)([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)OP(O)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11436 M END