Marvin 07021215312D 53 55 0 0 1 0 999 V2000 17.6531 -3.4699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9858 -2.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3983 -4.2545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3183 -3.4699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5733 -4.2545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8831 -4.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9075 -7.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6502 -7.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1930 -7.9233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4786 -7.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7640 -7.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2214 -6.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4786 -6.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2214 -5.4483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7925 -5.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5069 -5.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9358 -4.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8089 -3.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2214 -3.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6339 -3.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5069 -4.2108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7924 -3.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6502 -3.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3002 -3.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9502 -3.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4752 -2.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4752 -4.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1252 -2.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1252 -4.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4752 -3.7983 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.1252 -3.7983 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.5336 -3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0882 -4.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2632 -5.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9132 -5.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0882 -5.7470 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.0882 -6.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4378 -3.2150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0510 -3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7733 -2.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7654 -3.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0510 -4.5920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5939 -2.5475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4798 -3.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7654 -5.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4798 -4.5919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1943 -3.3544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3648 -7.5108 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.0793 -8.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0793 -7.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7938 -7.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5083 -7.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2228 -7.5108 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 13 10 1 0 0 0 0 10 9 1 0 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 16 14 1 0 0 0 0 13 12 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 21 19 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 32 25 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 M END > CHEBI:50998 > trans-2-enoyl-CoA > An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 2,3-trans-enoic acid. > 3 > CHEBI:16105; CHEBI:27043; CHEBI:65104; CHEBI:10704; CHEBI:10709; CHEBI:12857; CHEBI:12862; CHEBI:16202; CHEBI:17538; CHEBI:12859; CHEBI:27046; CHEBI:27042; CHEBI:10706 > trans-Didehydroacyl-CoA; trans-2-enoyl-CoAs; trans-2-Enoyl-CoA; trans-2-Enoyl-CoA; trans-2,3-Didehydroacyl-CoA; trans-2,3-didehydroacyl-CoA; trans-2,3-Didehydroacyl-CoA; trans-2,3-Dehydroacyl-CoA; 2,3-trans-enoyl CoAs; 2,3-trans-enoyl CoA > C24H37N7O17P3SR > 820.576 > 820.11795 > 0 > CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\[*] > C00658 $$$$