Mrv0541 08131209112D 83 84 0 0 0 0 999 V2000 32.2704 -14.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1462 -12.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3274 -13.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8875 -12.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0687 -12.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5718 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1257 -12.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3130 -12.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4414 -11.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9973 -13.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4985 -10.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7386 -12.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8142 -10.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4228 -13.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0729 -10.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1641 -12.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3887 -10.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8483 -13.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6474 -10.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5904 -11.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5896 -13.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8491 -11.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2739 -13.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7921 -12.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0151 -13.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4763 -13.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6994 -13.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4193 -13.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4407 -13.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6781 -14.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1249 -13.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9938 -13.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8662 -13.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2525 -14.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5504 -13.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5683 -13.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3185 -18.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4940 -18.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7172 -13.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3445 -14.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3150 -17.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4015 -13.9666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.9992 -18.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.7561 -18.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2917 -13.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8270 -14.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0286 -19.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8218 -19.4969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.2827 -18.8127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.5448 -19.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5806 -18.6954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.3692 -19.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1071 -18.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3487 -12.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7700 -14.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3788 -19.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1044 -20.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1579 -20.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9147 -16.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7947 -16.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0035 -16.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2269 -17.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9760 -13.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0287 -15.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3720 -17.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1428 -13.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7743 -18.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1487 -16.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9717 -16.0735 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.6878 -16.7007 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 33.7529 -13.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.8670 -11.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.2397 -10.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8712 -9.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.4457 -9.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.9632 -10.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.1649 -11.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0508 -12.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6602 -14.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4584 -19.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2067 -19.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.2595 -20.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6831 -19.5340 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 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 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 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 1 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 1 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 6 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 5 1 0 0 0 0 72 7 1 0 0 0 0 73 11 1 0 0 0 0 74 13 1 0 0 0 0 75 17 1 0 0 0 0 76 19 1 0 0 0 0 77 22 1 0 0 0 0 78 24 1 0 0 0 0 42 79 1 6 0 0 0 43 80 1 6 0 0 0 81 47 1 0 0 0 0 48 82 1 1 0 0 0 49 83 1 6 0 0 0 M END > BMDB0006983 > bmdb > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=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/h5,7,11,13,17,19,22,24,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,18,20-21,23,25-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,19-17-,24-22-/t42-,43-,47?,48-,49-/m1/s1 > DBLTVPIFKCEJPK-JRKGDOGBSA-N > C50H85N3O15P2 > 1030.1685 > 1029.545592089 > 13 > 112.18120129301901 > 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-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid > 7.19 > 10.155638861212994 > -5.61 > 0 > 2 > -2 > 3.2444605362736954 > 2.544650492395584 > 1.7745969025331072 > 264.25999999999993 > 283.6953999999999 > 44 > 0 > 2.56e-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-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid > 0 > BMDB0006983 > CDP-DG(18:0/20:4(8Z,11Z,14Z,17Z)) > 1-octadecanoyl-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-CDP; 1-stearoyl-2-eicsoate; 1-stearoyl-2-eicsoatetraenoyl-sn-glycero-3-cytidine-5'-diphosphate; 1-stearoyl-2-eicsoic acid; CDP-DG(18:0/20:4); CDP-DG(18:0/20:4n3); CDP-DG(18:0/20:4w3); CDP-DG(38:4); CDP-Diacylglycerol(18:0/20:4); CDP-Diacylglycerol(18:0/20:4n3); CDP-Diacylglycerol(18:0/20:4w3); CDP-Diacylglycerol(38:4) $$$$