Ketcher 05221509562D 1 1.00000 0.00000 0 68 69 0 1 0 999 V2000 9.7490 -11.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6150 -12.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2132 -11.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0794 -12.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 -12.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4812 -11.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7490 -10.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 -12.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0171 -11.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 -12.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 -11.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -12.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 -11.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 -12.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6869 -13.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 -13.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -13.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 -13.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1511 -13.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0171 -13.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -11.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9549 -12.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -13.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9549 -13.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 -13.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9455 -11.7749 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.8114 -12.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9455 -10.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9455 -12.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6775 -11.7750 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.5434 -12.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6775 -10.7751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6775 -12.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6414 -9.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6469 -9.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4389 -10.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3049 -10.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0479 -10.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9777 -8.5595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2867 -7.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9996 -8.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1414 -8.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6176 -6.8653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2649 -7.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3305 -8.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0262 -10.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6394 -7.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9704 -6.3302 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4095 -11.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4812 -13.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6153 -13.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4812 -14.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6152 -15.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6151 -16.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7491 -16.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7491 -17.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 -18.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 -19.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7490 -19.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6151 -19.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6153 -18.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4814 -17.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4816 -16.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3479 -16.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0169 -19.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0170 -20.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7489 -20.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8829 -21.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7 1 2 0 0 0 1 2 1 0 0 0 4 3 1 0 0 0 5 3 1 0 0 0 5 6 1 0 0 0 2 6 1 0 0 0 1 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 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 19 20 1 0 0 0 21 14 1 0 0 0 22 21 1 0 0 0 23 15 1 0 0 0 24 22 1 0 0 0 24 23 1 0 0 0 5 25 1 6 0 0 4 26 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 26 29 1 0 0 0 30 31 1 0 0 0 30 32 2 0 0 0 30 33 1 0 0 0 27 30 1 0 0 0 34 42 1 6 0 0 35 34 1 0 0 0 35 39 1 1 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 49 1 1 0 0 34 38 1 0 0 0 37 38 1 0 0 0 38 46 1 6 0 0 39 40 1 0 0 0 39 41 1 0 0 0 40 43 1 0 0 0 40 44 2 0 0 0 41 45 2 0 0 0 43 47 2 0 0 0 45 47 1 0 0 0 47 48 1 0 0 0 49 31 1 0 0 0 51 50 2 0 0 0 50 25 1 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 65 58 1 0 0 0 66 65 2 0 0 0 67 59 1 0 0 0 68 66 1 0 0 0 68 67 1 0 0 0 M CHG 2 29 -1 33 -1 M END > CHEBI:85353 > CDP-1-stearoyl-2-oleoyl-sn-glycerol(2-) > A CDP-diacylglycerol(2−) obtained by deprotonation of the diphosphate OH groups of CDP-1-stearoyl-2-oleoyl-sn-glycerol; major species at pH 7.3. > 3 > 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-cytidine-5'-diphosphate > 5'-O-[({[(2R)-3-(octadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propoxy]phosphinato}oxy)phosphinato]cytidine > C48H85N3O15P2 > 1006.14820 > 1005.54669 > -2 > 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)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C48H87N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h18,20,35-36,40-41,45-47,54-55H,3-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/p-2/b20-18-/t40-,41-,45-,46-,47-/m1/s1 > BZFPCBWCAKHOFP-ABELOIHJSA-L > 25375833 $$$$