Mol:BMMCTZ--e008
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 13 13 0 0 0 0 0 0 0 0999 V2000 | + | 13 13 0 0 0 0 0 0 0 0999 V2000 |
− | 4.2756 -1.4099 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2756 -1.4099 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5847 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5847 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7756 -2.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7756 -2.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9666 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9666 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2756 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2756 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0156 -2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0156 -2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6879 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6879 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0946 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0946 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5068 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5068 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9135 2.0352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 2.0352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8271 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8271 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3203 2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3203 2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
− | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
− | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
− | 10 13 2 0 0 0 0 | + | 10 13 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMMCTZ--e008 | + | ID BMMCTZ--e008 |
− | NAME 4-Methyl-5-(2-phospho-ethyl)-thiazole | + | NAME 4-Methyl-5-(2-phospho-ethyl)-thiazole |
− | FORMULA C6H10NO4PS | + | FORMULA C6H10NO4PS |
− | EXACTMASS 223.0068 | + | EXACTMASS 223.0068 |
− | AVERAGEMASS 223.1877 | + | AVERAGEMASS 223.1877 |
− | SMILES Cc(n1)c(CCOP(O)(O)=O)sc1 | + | SMILES Cc(n1)c(CCOP(O)(O)=O)sc1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04327 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04327 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 13 13 0 0 0 0 0 0 0 0999 V2000 4.2756 -1.4099 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5847 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7756 -2.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9666 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2756 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0156 -2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 2.0352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 1 5 1 0 0 0 0 4 3 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 S SKP 7 ID BMMCTZ--e008 NAME 4-Methyl-5-(2-phospho-ethyl)-thiazole FORMULA C6H10NO4PS EXACTMASS 223.0068 AVERAGEMASS 223.1877 SMILES Cc(n1)c(CCOP(O)(O)=O)sc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04327 M END