Mol:BMFYS1ALa003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 50 52 0 0 1 0 0 0 0 0999 V2000 | + | 50 52 0 0 1 0 0 0 0 0999 V2000 |
− | 2.9781 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -4.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.3353 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.3353 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.4692 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.4692 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.4692 -1.7804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.4692 -1.7804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.3353 -1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.3353 -1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.2013 -1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2013 -1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.2013 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2013 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.9444 -1.1113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.9444 -1.1113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 21.5377 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.5377 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.5432 -0.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.5432 -0.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 22.0673 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.0673 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.8740 0.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 19.8740 0.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 20.0820 1.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 20.0820 1.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 19.2159 1.9190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 19.2159 1.9190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 18.4728 1.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 18.4728 1.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 17.4946 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.4946 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.9955 1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.9955 1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.1114 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.1114 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 18.8795 0.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 18.8795 0.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.8255 0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.8255 0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.9204 3.5013 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.9204 3.5013 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.5082 2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.5082 2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 19.3326 4.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.3326 4.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 20.7294 4.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.7294 4.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8474 0.9226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8474 0.9226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.6394 -0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.6394 -0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.0553 1.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.0553 1.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.8692 1.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.8692 1.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.2001 0.3873 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.2001 0.3873 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.9432 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9432 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.4569 1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.4569 1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 13.5309 -0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.5309 -0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.5528 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5528 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.8837 -0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8837 -0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.6268 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.6268 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1405 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1405 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.2145 -1.6342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 11.2145 -1.6342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 10.2364 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2364 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.5673 -2.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5673 -2.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5891 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5891 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.9200 -2.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9200 -2.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9418 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9418 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.2727 -3.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2727 -3.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2946 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2946 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6254 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6254 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6473 -3.5672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -3.5672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.5236 -2.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5236 -2.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9274 -0.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9274 -0.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.6328 -1.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6328 -1.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 13 20 1 6 0 0 0 | + | 13 20 1 6 0 0 0 |
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− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
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− | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
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− | 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 |
− | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
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− | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
− | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
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− | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
− | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 38 48 1 1 0 0 0 | + | 38 48 1 1 0 0 0 |
− | 39 49 2 0 0 0 0 | + | 39 49 2 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
− | 43 50 2 0 0 0 0 | + | 43 50 2 0 0 0 0 |
− | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
− | 14 18 1 1 0 0 0 | + | 14 18 1 1 0 0 0 |
− | 15 19 1 1 0 0 0 | + | 15 19 1 1 0 0 0 |
− | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
− | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
− | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
− | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
− | 47 1 1 0 0 0 0 | + | 47 1 1 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
− | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 3 8 2 0 0 0 0 | + | 3 8 2 0 0 0 0 |
− | 7 6 2 0 0 0 0 | + | 7 6 2 0 0 0 0 |
− | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
− | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
− | 9 7 1 0 0 0 0 | + | 9 7 1 0 0 0 0 |
− | 6 11 1 0 0 0 0 | + | 6 11 1 0 0 0 0 |
− | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMFYS1ALa003 | + | ID BMFYS1ALa003 |
− | NAME Formyl-CoA | + | NAME Formyl-CoA |
− | FORMULA C22H36N7O17P3S | + | FORMULA C22H36N7O17P3S |
− | EXACTMASS 795.1101 | + | EXACTMASS 795.1101 |
− | AVERAGEMASS 795.5455 | + | AVERAGEMASS 795.5455 |
− | SMILES [C@@H](O1)([C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1n(c32)cnc2c(N)ncn3)COP(OP(OCC(C)(C)[C@H](C(NCCC(NCCSC=O)=O)=O)O)(O)=O)(O)=O | + | SMILES [C@@H](O1)([C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1n(c32)cnc2c(N)ncn3)COP(OP(OCC(C)(C)[C@H](C(NCCC(NCCSC=O)=O)=O)O)(O)=O)(O)=O |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00798 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00798 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 50 52 0 0 1 0 0 0 0 0999 V2000 2.9781 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3353 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4692 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4692 -1.7804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3353 -1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2013 -1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2013 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9444 -1.1113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5377 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5432 -0.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0673 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8740 0.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0820 1.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2159 1.9190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4728 1.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4946 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9955 1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1114 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8795 0.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8255 0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9204 3.5013 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.5082 2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3326 4.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7294 4.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8474 0.9226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.6394 -0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0553 1.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8692 1.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2001 0.3873 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.9432 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4569 1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5309 -0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5528 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8837 -0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6268 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1405 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2145 -1.6342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2364 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5673 -2.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5891 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 -2.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2727 -3.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6254 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -3.5672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5236 -2.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9274 -0.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 -1.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 20 1 6 0 0 0 15 16 1 0 0 0 0 13 20 1 6 0 0 0 15 14 1 0 0 0 0 13 14 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 13 11 1 0 0 0 0 21 26 1 0 0 0 0 26 28 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 33 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 30 29 1 0 0 0 0 34 35 1 0 0 0 0 35 38 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 38 48 1 1 0 0 0 39 49 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 50 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 14 18 1 1 0 0 0 15 19 1 1 0 0 0 23 22 1 0 0 0 0 22 25 1 0 0 0 0 22 24 2 0 0 0 0 19 22 1 0 0 0 0 47 1 1 0 0 0 0 1 2 2 0 0 0 0 7 8 1 0 0 0 0 6 5 1 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 8 2 0 0 0 0 7 6 2 0 0 0 0 11 10 1 0 0 0 0 10 9 2 0 0 0 0 9 7 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 S SKP 7 ID BMFYS1ALa003 NAME Formyl-CoA FORMULA C22H36N7O17P3S EXACTMASS 795.1101 AVERAGEMASS 795.5455 SMILES [C@@H](O1)([C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1n(c32)cnc2c(N)ncn3)COP(OP(OCC(C)(C)[C@H](C(NCCC(NCCSC=O)=O)=O)O)(O)=O)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00798 M END