Mrv0541 08131209112D 83 84 0 0 0 0 999 V2000 26.5477 20.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8374 16.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3066 19.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4001 15.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5027 19.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2039 16.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2616 18.8712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7666 15.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4577 18.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5705 15.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2166 17.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1331 15.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4127 17.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9370 15.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8500 18.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4997 14.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0462 18.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3035 14.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8050 17.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3677 16.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8662 14.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1266 15.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6700 14.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6893 15.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2327 13.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4931 15.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0366 13.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7343 16.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5993 13.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5381 16.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4031 13.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1008 15.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9658 12.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8596 15.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7696 13.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4223 14.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6944 5.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0167 6.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6989 12.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0654 11.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7731 9.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5027 12.3274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.9587 9.0398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.8756 5.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3323 12.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1812 13.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7182 8.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6463 7.8957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.8425 7.7100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.7013 6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5533 4.6723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.3790 6.0906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.5202 6.9506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0912 11.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3773 13.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4253 9.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2690 7.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2048 7.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0353 11.8691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8286 10.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6023 11.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6128 11.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1362 12.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8692 11.9097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9841 10.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7439 13.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4175 8.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9946 10.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4319 11.3064 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.7985 10.8887 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.9517 17.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4560 16.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4835 18.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0012 17.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3227 15.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4481 14.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1716 16.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0346 17.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2616 11.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.3712 9.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9455 9.5106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.4112 8.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.3728 7.0781 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 1 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 1 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 18 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 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 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 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 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 38 37 2 0 0 0 0 42 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 6 0 0 0 44 37 1 0 0 0 0 45 35 1 0 0 0 0 46 36 1 0 0 0 0 47 43 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 51 44 2 0 0 0 0 52 44 1 0 0 0 0 52 50 2 0 0 0 0 53 38 1 0 0 0 0 49 53 1 6 0 0 0 53 50 1 0 0 0 0 54 45 2 0 0 0 0 55 46 2 0 0 0 0 56 47 1 0 0 0 0 48 57 1 1 0 0 0 58 50 1 0 0 0 0 63 39 1 0 0 0 0 63 45 1 0 0 0 0 64 40 1 0 0 0 0 65 41 1 0 0 0 0 42 66 1 6 0 0 0 66 46 1 0 0 0 0 67 43 1 0 0 0 0 67 49 1 0 0 0 0 69 59 1 0 0 0 0 69 60 2 0 0 0 0 69 64 1 0 0 0 0 69 68 1 0 0 0 0 70 61 1 0 0 0 0 70 62 2 0 0 0 0 70 65 1 0 0 0 0 70 68 1 0 0 0 0 71 11 1 0 0 0 0 72 13 1 0 0 0 0 73 17 1 0 0 0 0 74 19 1 0 0 0 0 75 22 1 0 0 0 0 76 24 1 0 0 0 0 77 28 1 0 0 0 0 78 30 1 0 0 0 0 42 79 1 6 0 0 0 43 80 1 1 0 0 0 81 47 1 0 0 0 0 48 82 1 6 0 0 0 49 83 1 1 0 0 0 M END > BMDB0006982 > bmdb > [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)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/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-VNEVOYGMSA-N > C50H85N3O15P2 > 1030.1685 > 1029.545592089 > 13 > 113.066455817342 > 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-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid > 7.24 > 10.155638861212994 > -5.62 > 0 > 2 > -2 > 3.244460536273672 > 2.5446504923955766 > 1.7745969025330874 > 264.25999999999993 > 283.6953999999999 > 44 > 0 > 2.49e-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-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid > 0 > BMDB0006982 > CDP-DG(18:0/20:4(5Z,8Z,11Z,14Z)) > 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-CDP; 1-stearoyl-2-arachidonoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(18:0/20:4); CDP-DG(18:0/20:4n6); CDP-DG(18:0/20:4w6); CDP-DG(38:4); CDP-Diacylglycerol(18:0/20:4); CDP-Diacylglycerol(18:0/20:4n6); CDP-Diacylglycerol(18:0/20:4w6); CDP-Diacylglycerol(38:4) $$$$