Ketcher 07271515582D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 13.3590 -2.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3590 -3.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4928 -3.5080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4927 -4.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3588 -5.0080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2249 -4.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2249 -3.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1758 -3.1991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7638 -4.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1758 -4.8171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4850 -5.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8970 -6.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4849 -7.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4357 -7.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2449 -7.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4360 -6.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2449 -5.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1758 -8.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3096 -9.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3096 -8.8375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.3096 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1758 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4386 -8.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 -7.3864 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 -7.3864 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1138 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8457 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7116 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 -8.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5777 -9.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4437 -8.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6266 -5.0080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 7 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 2 0 0 0 6 10 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 11 10 1 1 0 0 11 12 1 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 13 22 1 1 0 0 13 14 1 0 0 0 14 15 1 6 0 0 14 16 1 0 0 0 16 17 1 6 0 0 18 20 1 0 0 0 20 19 2 0 0 0 20 34 1 0 0 0 20 21 1 0 0 0 22 18 1 0 0 0 27 23 1 0 0 0 27 24 1 6 0 0 23 25 1 0 0 0 24 26 1 0 0 0 25 26 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 34 1 0 0 0 32 33 2 0 0 0 4 35 1 0 0 0 M END > CHEBI:86459 > (R)-lipoyl-GMP > An acyclic mixed acid anhydride that results from the formal condensation of the phosphoryl group of GMP with the carboxyl group of lipoic acid. > 3 > (R)-lipoyl adenylate > 5'-O-[({5-[(3R)-1,2-dithiolan-3-yl]pentanoyl}oxy)(hydroxy)phosphoryl]guanosine > C18H26N5O9PS2 > 551.53100 > 551.09096 > 0 > Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2CCSS2)[C@@H](O)[C@H]1O > InChI=1S/C18H26N5O9PS2/c19-18-21-15-12(16(27)22-18)20-8-23(15)17-14(26)13(25)10(31-17)7-30-33(28,29)32-11(24)4-2-1-3-9-5-6-34-35-9/h8-10,13-14,17,25-26H,1-7H2,(H,28,29)(H3,19,21,22,27)/t9-,10-,13-,14-,17-/m1/s1 > CBFBRENOWPXOON-GDHWZLSQSA-N > 11382754 $$$$