Mol:BMFYS4CAa023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 55 57 0 0 1 0 0 0 0 0999 V2000 2.6691 -4.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3164 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2946 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3601 -3.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -4.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6517 -2.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7856 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7856 -1.2452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6517 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5177 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5177 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2608 -0.5761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8541 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8596 0.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3837 -2.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1904 0.9761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3984 1.9543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5323 2.4543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7892 1.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8110 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3119 2.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4278 3.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1959 0.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1419 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2368 4.0366 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.8246 3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6490 4.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0458 4.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1638 1.4578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.9559 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3717 2.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1856 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5165 0.9226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.2596 0.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8474 0.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8692 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2001 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9432 -1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4569 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5309 -1.0990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5528 -0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8837 -1.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9055 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2364 -2.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2582 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5891 -2.7046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 -3.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9637 -3.0320 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.8400 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2438 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 -1.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21 25 1 6 0 0 0 20 21 1 0 0 0 0 18 25 1 6 0 0 0 20 19 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 22 26 1 0 0 0 0 18 16 1 0 0 0 0 26 31 1 0 0 0 0 31 33 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 38 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 38 39 1 0 0 0 0 35 34 1 0 0 0 0 39 40 1 0 0 0 0 40 43 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 53 1 1 0 0 0 44 54 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 55 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 19 23 1 1 0 0 0 20 24 1 1 0 0 0 28 27 1 0 0 0 0 27 30 1 0 0 0 0 27 29 2 0 0 0 0 24 27 1 0 0 0 0 52 4 1 0 0 0 0 4 3 1 0 0 0 0 4 7 2 0 0 0 0 12 13 1 0 0 0 0 11 10 1 0 0 0 0 10 9 2 0 0 0 0 9 8 1 0 0 0 0 8 13 2 0 0 0 0 12 11 2 0 0 0 0 16 15 1 0 0 0 0 15 14 2 0 0 0 0 14 12 1 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 3 2 1 0 0 0 0 1 6 1 0 0 0 0 1 5 2 0 0 0 0 2 1 1 0 0 0 0 S SKP 7 ID BMFYS4CAa023 NAME Succinyl-CoA FORMULA C25H40N7O19P3S EXACTMASS 867.1312 AVERAGEMASS 867.6081 SMILES n(c3N)cnc(c32)n(cn2)[C@@H]([C@@H]1O)O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(O)(=O)OCC([C@@H](O)C(NCCC(NCCSC(=O)CCC(O)=O)=O)=O)(C)C)(O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00091 M END