Ketcher 05211516252D 1 1.00000 0.00000 0 70 71 0 1 0 999 V2000 9.2635 -11.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3005 -13.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 -14.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4319 -14.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4319 -15.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3005 -16.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 -17.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1689 -17.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0374 -17.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9060 -17.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7745 -17.4044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7744 -16.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6429 -15.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6429 -14.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7744 -14.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7744 -13.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9058 -12.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9060 -11.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7744 -11.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1689 -11.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1689 -12.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9962 -11.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3908 -10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2592 -10.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8647 -10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7334 -10.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9963 -10.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1278 -10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3908 -9.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 -10.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6539 -10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7854 -10.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9169 -10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 -10.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 -10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 -10.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4429 -10.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5745 -10.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5745 -11.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -12.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3114 -11.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1799 -12.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 -11.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9169 -12.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7855 -11.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6539 -12.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6020 -10.0599 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.4703 -10.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6020 -9.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6020 -11.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3389 -10.0600 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.2072 -10.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3389 -9.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3389 -11.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3083 -7.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3111 -7.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1025 -8.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9709 -9.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7160 -8.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6400 -6.8354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9498 -5.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6590 -7.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8097 -6.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2788 -5.1364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9308 -5.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9880 -6.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6971 -8.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2979 -5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6270 -4.5997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0758 -10.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20 1 2 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 20 21 1 0 0 0 21 2 1 0 0 0 20 22 1 0 0 0 27 22 1 6 0 0 29 23 2 0 0 0 23 24 1 0 0 0 26 25 1 0 0 0 27 25 1 0 0 0 27 28 1 0 0 0 24 28 1 0 0 0 23 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 39 38 1 0 0 0 26 47 1 0 0 0 47 48 1 0 0 0 47 49 2 0 0 0 47 50 1 0 0 0 51 52 1 0 0 0 51 53 2 0 0 0 51 54 1 0 0 0 48 51 1 0 0 0 55 63 1 6 0 0 56 55 1 0 0 0 56 60 1 1 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 70 1 1 0 0 55 59 1 0 0 0 58 59 1 0 0 0 59 67 1 6 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 64 1 0 0 0 61 65 2 0 0 0 62 66 2 0 0 0 64 68 2 0 0 0 66 68 1 0 0 0 68 69 1 0 0 0 70 52 1 0 0 0 M END > CHEBI:85829 > CDP-1-stearoyl-2-arachidonoyl-sn-glycerol > A CDP-diacylglycerol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. > 3 > CDP-Diacylglycerol(38:4); CDP-Diacylglycerol(18:0/20:4w6); CDP-Diacylglycerol(18:0/20:4n6); CDP-Diacylglycerol(18:0/20:4); CDP-DG(38:4); CDP-DG(18:0/20:4w6); CDP-DG(18:0/20:4n6); CDP-DG(18:0/20:4); CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycerol; CDP-1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol; 1-Stearoyl-2-arachidonoyl-sn-glycero-3-cytidine-5'-diphosphate; 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate; 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-cytidine-5'-diphosphate; 1-Octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-CDP > 5'-O-[hydroxy({hydroxy[(2R)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)phosphoryl]cytidine > C50H85N3O15P2 > 1030.16850 > 1029.54559 > 0 > CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C50H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)40-64-69(59,60)68-70(61,62)65-41-43-47(56)48(57)49(67-43)53-38-37-44(51)52-50(53)58/h11,13,17,19,22,24,28,30,37-38,42-43,47-49,56-57H,3-10,12,14-16,18,20-21,23,25-27,29,31-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b13-11-,19-17-,24-22-,30-28-/t42-,43-,47-,48-,49-/m1/s1 > MXWMCLVKMTUATQ-UMHKXKCNSA-N $$$$