Mol:BMMCPYURS605
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 52 54 0 0 1 0 0 0 0 0999 V2000 15.8564 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 -4.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9904 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8564 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7224 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5885 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -5.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -3.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5423 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5368 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1246 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7178 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7233 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1355 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9435 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3056 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9545 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9545 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6455 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4545 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4545 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3667 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6944 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2635 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.5885 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5885 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.2224 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2224 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50 49 1 0 0 0 0 29 34 1 0 0 0 0 50 51 2 0 0 0 0 34 33 2 0 0 0 0 49 46 1 0 0 0 0 33 32 1 0 0 0 0 46 48 1 0 0 0 0 5 4 1 0 0 0 0 46 45 1 0 0 0 0 4 3 1 0 0 0 0 46 47 2 0 0 0 0 3 2 1 0 0 0 0 45 41 1 0 0 0 0 40 41 1 0 0 0 0 2 1 1 0 0 0 0 39 43 1 1 0 0 0 1 27 1 0 0 0 0 38 42 1 1 0 0 0 37 29 1 0 0 0 0 5 27 1 6 0 0 0 32 36 2 0 0 0 0 32 31 1 0 0 0 0 30 35 2 0 0 0 0 1 21 1 4 0 0 0 23 7 1 0 0 0 0 40 39 1 0 0 0 0 7 8 1 0 0 0 0 3 23 1 6 0 0 0 8 9 1 0 0 0 0 39 38 1 0 0 0 0 9 10 1 0 0 0 0 4 26 1 1 0 0 0 10 11 1 0 0 0 0 38 37 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 37 44 1 6 0 0 0 13 14 1 0 0 0 0 6 28 1 0 0 0 0 14 15 1 0 0 0 0 40 44 1 6 0 0 0 15 16 1 0 0 0 0 2 22 1 1 0 0 0 16 17 1 0 0 0 0 31 30 1 0 0 0 0 17 18 1 0 0 0 0 21 50 1 0 0 0 0 18 19 1 0 0 0 0 30 29 1 0 0 0 0 19 20 1 0 0 0 0 50 52 1 0 0 0 0 7 24 2 0 0 0 0 9 25 1 4 0 0 0 S SKP 7 ID BMMCPYURS605 NAME UDP-3-O-(3-hydroxy-tetradecanoyl)-D-glucosamine FORMULA C29H51N3O18P2 EXACTMASS 791.2642 AVERAGEMASS 791.6721 SMILES N[C@H]([C@H]1OC(=O)CC(CCCCCCCCCCC)O)C(OP(O)(=O)OP(OC[C@H]([C@H]2O)O[C@@H](N(C=3)C(NC(=O)C3)=O)[C@H](O)2)(O)=O)O[C@H](CO)[C@@H](O)1 KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06022 M END