Mrv0541 08131209122D 91 92 0 0 0 0 999 V2000 26.6508 5.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9305 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4517 5.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1296 4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0237 5.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5576 4.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8246 5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7567 4.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0534 4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1847 3.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8542 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3839 3.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0830 3.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8118 3.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5110 3.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0110 3.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7398 2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7822 4.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1678 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3669 1.8501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7949 1.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9940 1.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3542 4.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7652 2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1551 4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9644 2.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7271 5.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7356 3.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5279 5.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3076 3.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1000 5.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0788 4.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9008 5.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2779 4.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4729 6.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7059 4.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2737 5.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9051 4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5781 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8023 11.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2186 6.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5915 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2687 11.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0195 6.6059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.0614 11.2331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 30.7228 10.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8457 6.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6762 5.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3422 12.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1667 11.9815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.3955 11.1889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.3160 10.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4985 10.0658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.0917 9.8151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.1713 10.9081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6169 7.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8754 5.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8796 12.6920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6735 12.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6849 9.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3402 9.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5292 8.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0491 10.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4853 9.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6466 6.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3627 7.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0706 10.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2483 5.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7124 10.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5068 9.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9347 8.5875 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 25.2779 9.9746 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.7949 6.4078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3966 6.0115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.4263 5.0207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.8839 3.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0406 2.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4389 2.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5407 2.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3966 0.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0237 0.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4220 0.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3923 1.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9347 3.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4130 5.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0491 5.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7907 7.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3256 11.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5380 12.1930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8167 12.7286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9979 11.7526 0.0000 H 0 0 0 0 0 0 0 0 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 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 18 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 2 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 40 39 2 0 0 0 0 44 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 6 0 0 0 46 39 1 0 0 0 0 47 37 1 0 0 0 0 48 38 1 0 0 0 0 49 45 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 53 46 2 0 0 0 0 54 46 1 0 0 0 0 54 52 2 0 0 0 0 55 40 1 0 0 0 0 51 55 1 6 0 0 0 55 52 1 0 0 0 0 56 47 2 0 0 0 0 57 48 2 0 0 0 0 58 49 1 0 0 0 0 50 59 1 1 0 0 0 60 52 1 0 0 0 0 65 41 1 0 0 0 0 65 47 1 0 0 0 0 66 42 1 0 0 0 0 67 43 1 0 0 0 0 44 68 1 1 0 0 0 68 48 1 0 0 0 0 69 45 1 0 0 0 0 69 51 1 0 0 0 0 71 61 1 0 0 0 0 71 62 2 0 0 0 0 71 66 1 0 0 0 0 71 70 1 0 0 0 0 72 63 1 0 0 0 0 72 64 2 0 0 0 0 72 67 1 0 0 0 0 72 70 1 0 0 0 0 73 5 1 0 0 0 0 74 7 1 0 0 0 0 75 11 1 0 0 0 0 76 13 1 0 0 0 0 77 14 1 0 0 0 0 78 16 1 0 0 0 0 79 17 1 0 0 0 0 80 19 1 0 0 0 0 81 21 1 0 0 0 0 82 22 1 0 0 0 0 83 26 1 0 0 0 0 84 28 1 0 0 0 0 85 32 1 0 0 0 0 86 34 1 0 0 0 0 44 87 1 1 0 0 0 45 88 1 1 0 0 0 89 49 1 0 0 0 0 50 90 1 6 0 0 0 51 91 1 1 0 0 0 M END > BMDB0006994 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2O)[C@]([H])(O)C1([H])O > InChI=1S/C52H83N3O15P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-48(57)68-44(41-65-47(56)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h5,7,11,13-14,16-17,19,21-22,26,28,32,34,39-40,44-45,49-51,58-59H,3-4,6,8-10,12,15,18,20,23-25,27,29-31,33,35-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b7-5-,13-11-,16-14-,19-17-,22-21-,28-26-,34-32-/t44-,45-,49?,50-,51-/m1/s1 > DLHOGIVUAZAHPZ-YBFHPVTFSA-N > C52H83N3O15P2 > 1052.174 > 1051.529942025 > 13 > 113.4206815148644 > 0 > 6 > 0 > 0 > [({[(2R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid > 7.26 > 9.959011224158745 > -5.93 > 0 > 2 > -2 > 3.2444605362575643 > 2.544650492390115 > 1.774596902519169 > 264.25999999999993 > 296.24719999999985 > 43 > 0 > 1.23e-03 g/l > {[(2R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-iminopyrimidin-1-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid > 0 > BMDB0006994 > CDP-DG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) > 1-(11Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-CDP; 1-vaccenoyl-2-docosahexaenoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(18:1/22:6); CDP-DG(18:1n7/22:6n3); CDP-DG(18:1w7/22:6w3); CDP-DG(40:7); CDP-Diacylglycerol(18:1/22:6); CDP-Diacylglycerol(18:1n7/22:6n3); CDP-Diacylglycerol(18:1w7/22:6w3); CDP-Diacylglycerol(40:7) $$$$