Mrv0541 08131209102D 87 88 0 0 0 0 999 V2000 25.9943 -14.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9927 -12.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2453 -14.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7416 -11.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5712 -14.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4157 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6461 -13.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1647 -11.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3951 -13.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8388 -12.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0692 -13.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5877 -12.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8181 -13.3188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2618 -12.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8930 -12.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0108 -12.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6420 -12.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7169 -11.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0428 -10.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1177 -10.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4437 -9.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6947 -9.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6848 -12.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0206 -9.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4338 -12.2810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2716 -9.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1079 -12.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1967 -10.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8569 -12.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4478 -10.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5309 -12.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3729 -11.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2799 -12.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0470 -12.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9540 -13.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9721 -13.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6279 -17.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8030 -17.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1260 -12.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7252 -14.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6262 -17.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8000 -13.2756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.3003 -17.7665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.0502 -18.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7029 -12.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2231 -13.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3117 -18.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0998 -18.8355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5754 -18.1614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.8227 -18.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8751 -18.1159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6476 -18.8474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4004 -18.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7778 -11.8486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1482 -14.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6510 -19.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3655 -19.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4201 -19.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2494 -16.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1459 -15.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3530 -15.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5514 -16.6677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3770 -13.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3992 -14.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7011 -16.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5490 -12.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0813 -17.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5027 -15.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3243 -15.3944 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.0271 -15.9936 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.8223 -14.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1754 -12.8575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2798 -14.4624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.4922 -13.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3161 -12.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4659 -10.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8667 -9.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5186 -8.7352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0955 -8.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5976 -9.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7737 -10.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6239 -12.1080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0511 -13.6215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7461 -18.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4916 -18.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5245 -19.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9601 -18.8913 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 17 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 16 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 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 2 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 18 1 0 0 0 0 77 20 1 0 0 0 0 78 21 1 0 0 0 0 79 24 1 0 0 0 0 80 26 1 0 0 0 0 81 30 1 0 0 0 0 82 32 1 0 0 0 0 42 83 1 6 0 0 0 43 84 1 6 0 0 0 85 47 1 0 0 0 0 48 86 1 1 0 0 0 49 87 1 6 0 0 0 M END > BMDB0006976 > 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)CCCCCCCCCCCCCCC)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/C50H81N3O15P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-46(55)66-42(39-63-45(54)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)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/h5,7,11,13,17-18,20-21,24,26,30,32,37-38,42-43,47-49,56-57H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-36,39-41H2,1-2H3,(H,59,60)(H,61,62)(H2,51,52,58)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t42-,43-,47?,48-,49-/m1/s1 > QWIISELVPLOLJW-FPZULKSXSA-N > C50H81N3O15P2 > 1026.1368 > 1025.514291961 > 13 > 109.44117542470094 > 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-(hexadecanoyloxy)propoxy]phosphinic acid > 7.07 > 9.431795550733602 > -5.77 > 0 > 2 > -2 > 3.2444605362575643 > 2.544650492390115 > 1.774596902519169 > 264.25999999999993 > 285.9285999999999 > 42 > 0 > 1.76e-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-(hexadecanoyloxy)propoxyphosphinic acid > 0 > BMDB0006976 > CDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) > 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-CDP; 1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(16:0/22:6); CDP-DG(16:0/22:6n3); CDP-DG(16:0/22:6w3); CDP-DG(38:6); CDP-Diacylglycerol(16:0/22:6); CDP-Diacylglycerol(16:0/22:6n3); CDP-Diacylglycerol(16:0/22:6w3); CDP-Diacylglycerol(38:6) $$$$