Mol:BMCCPUAP0030
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 48 51 0 0 1 0 0 0 0 0999 V2000 | + | 48 51 0 0 1 0 0 0 0 0999 V2000 |
− | 2.7431 2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6942 3.1346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.6942 3.1346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.4373 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4373 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.3884 2.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3884 2.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1315 2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1315 2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9021 4.1127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 4.1127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.0826 2.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0826 2.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.8257 1.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8257 1.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.6178 0.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6178 0.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.7768 2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7768 2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.4907 -1.0523 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.4907 -1.0523 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 7.4962 -0.9477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4962 -0.9477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.0894 -1.8613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.0894 -1.8613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.8326 -2.5304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.8326 -2.5304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.7281 -3.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7281 -3.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5352 1.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5352 1.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 3.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.1598 -0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1598 -0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9962 -0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9962 -0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1113 -2.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1113 -2.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6986 -2.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6986 -2.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5371 -4.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5371 -4.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.6551 -2.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.6551 -2.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.7891 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.7891 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.7891 -0.7827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.7891 -0.7827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.6551 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.6551 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.5212 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.5212 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.5212 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.5212 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.2643 -0.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.2643 -0.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.8576 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.8576 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.8630 0.6955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.8630 0.6955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 17.3872 -2.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.3872 -2.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 15.1939 1.4386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 15.1939 1.4386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 15.4018 2.4168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 15.4018 2.4168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 14.5358 2.9168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 14.5358 2.9168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 13.7927 2.2476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 13.7927 2.2476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 12.8145 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8145 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 16.3154 2.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.3154 2.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.4313 3.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.4313 3.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 14.1994 1.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.1994 1.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 12.1454 1.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.1454 1.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.1672 1.9203 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1672 1.9203 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.9593 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9593 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.3751 2.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3751 2.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.1891 2.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1891 2.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.5199 1.3851 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5199 1.3851 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2631 0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2631 0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.8508 0.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8508 0.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 11 18 1 4 0 0 0 | + | 11 18 1 4 0 0 0 |
− | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
− | 46 10 1 0 0 0 0 | + | 46 10 1 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 46 48 1 0 0 0 0 | + | 46 48 1 0 0 0 0 |
− | 48 18 1 0 0 0 0 | + | 48 18 1 0 0 0 0 |
− | 12 19 1 1 0 0 0 | + | 12 19 1 1 0 0 0 |
− | 35 39 1 1 0 0 0 | + | 35 39 1 1 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 34 38 1 1 0 0 0 | + | 34 38 1 1 0 0 0 |
− | 13 20 1 1 0 0 0 | + | 13 20 1 1 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
− | 27 26 2 0 0 0 0 | + | 27 26 2 0 0 0 0 |
− | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
− | 25 24 2 0 0 0 0 | + | 25 24 2 0 0 0 0 |
− | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
− | 23 28 2 0 0 0 0 | + | 23 28 2 0 0 0 0 |
− | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPUAP0030 | + | ID BMCCPUAP0030 |
− | NAME N2-(ADP-D-ribosyl)-L-arginine | + | NAME N2-(ADP-D-ribosyl)-L-arginine |
− | FORMULA C21H35N9O16P2 | + | FORMULA C21H35N9O16P2 |
− | EXACTMASS 731.1676 | + | EXACTMASS 731.1676 |
− | AVERAGEMASS 731.5011 | + | AVERAGEMASS 731.5011 |
− | SMILES OP(=O)(OP(NC(=N)NCCC[C@H](N)C(O)=O)(OOC([C@H](O)4)O[C@H](CO)[C@H]4O)=O)OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)n(c2)c(n1)c(n2)c(N)nc1 | + | SMILES OP(=O)(OP(NC(=N)NCCC[C@H](N)C(O)=O)(OOC([C@H](O)4)O[C@H](CO)[C@H]4O)=O)OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)n(c2)c(n1)c(n2)c(N)nc1 |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01201 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01201 |
M END | M END | ||
− |
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 48 51 0 0 1 0 0 0 0 0999 V2000 2.7431 2.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 3.1346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4373 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 2.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 2.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 4.1127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 2.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8257 1.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 0.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4907 -1.0523 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4962 -0.9477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0894 -1.8613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8326 -2.5304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7281 -3.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 1.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1598 -0.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 -0.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1113 -2.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6986 -2.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5371 -4.1127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6551 -2.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7891 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7891 -0.7827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6551 -0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5212 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5212 -1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2643 -0.1135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8576 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8630 0.6955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3872 -2.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1939 1.4386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4018 2.4168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5358 2.9168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7927 2.2476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8145 2.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3154 2.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4313 3.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1994 1.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1454 1.7124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1672 1.9203 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9593 0.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3751 2.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1891 2.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 1.3851 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 0.7160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 0.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 34 33 1 0 0 0 0 33 40 1 6 0 0 0 36 40 1 6 0 0 0 36 35 1 0 0 0 0 35 34 1 0 0 0 0 5 7 1 0 0 0 0 33 31 1 0 0 0 0 36 37 1 0 0 0 0 12 11 1 0 0 0 0 37 41 1 0 0 0 0 11 21 1 0 0 0 0 41 42 1 0 0 0 0 14 21 1 6 0 0 0 42 43 2 0 0 0 0 14 13 1 0 0 0 0 42 45 1 0 0 0 0 13 12 1 0 0 0 0 42 44 1 0 0 0 0 2 6 1 1 0 0 0 45 46 1 0 0 0 0 11 18 1 4 0 0 0 46 47 2 0 0 0 0 46 10 1 0 0 0 0 2 3 1 0 0 0 0 46 48 1 0 0 0 0 48 18 1 0 0 0 0 12 19 1 1 0 0 0 35 39 1 1 0 0 0 7 8 1 0 0 0 0 34 38 1 1 0 0 0 13 20 1 1 0 0 0 1 2 1 0 0 0 0 31 26 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 14 15 1 0 0 0 0 8 10 1 0 0 0 0 15 22 1 0 0 0 0 3 4 1 0 0 0 0 8 9 2 0 0 0 0 17 1 1 0 0 0 0 27 26 2 0 0 0 0 26 25 1 0 0 0 0 25 24 2 0 0 0 0 24 23 1 0 0 0 0 23 28 2 0 0 0 0 28 27 1 0 0 0 0 4 5 1 0 0 0 0 28 32 1 0 0 0 0 S SKP 7 ID BMCCPUAP0030 NAME N2-(ADP-D-ribosyl)-L-arginine FORMULA C21H35N9O16P2 EXACTMASS 731.1676 AVERAGEMASS 731.5011 SMILES OP(=O)(OP(NC(=N)NCCC[C@H](N)C(O)=O)(OOC([C@H](O)4)O[C@H](CO)[C@H]4O)=O)OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)n(c2)c(n1)c(n2)c(N)nc1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01201 M END