Mrv1652303102018232D 67 68 0 0 1 0 999 V2000 17.5722 -4.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6111 -4.5705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6498 -4.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5334 -4.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6886 -4.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8610 -5.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4479 -5.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6039 -4.2071 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.6039 -5.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9298 -4.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6039 -3.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0003 -4.1776 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.0003 -5.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3262 -4.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0003 -3.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2859 -6.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9575 -6.7484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.8641 -5.8701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.1820 -5.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2329 -5.8606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.9627 -7.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2798 -7.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2288 -5.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5390 -3.3821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.5390 -4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8245 -2.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8245 -4.6196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.1101 -3.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1101 -4.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8245 -2.1446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.2388 -4.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9716 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5439 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2584 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9729 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6873 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4018 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1163 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8307 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5452 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2597 -4.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9741 -4.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9741 -3.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 -6.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7149 -5.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 -6.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1438 -5.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -6.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5728 -5.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2873 -6.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0018 -6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -5.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4307 -6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1452 -5.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8596 -6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5742 -5.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2886 -6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0031 -5.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7176 -6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4320 -5.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1465 -6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1465 -6.9180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 2 7 1 1 0 0 0 8 4 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 12 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 17 16 1 1 0 0 0 18 19 1 0 0 0 0 18 17 1 1 0 0 0 20 16 1 1 0 0 0 19 20 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 20 1 0 0 0 0 14 23 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 26 30 1 0 0 0 0 25 31 2 0 0 0 0 18 27 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 5 1 0 0 0 0 47 48 2 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 2 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 2 0 0 0 0 6 66 1 0 0 0 0 M END > BMDB0006970 > bmdb > [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)C1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCCCC\C=C/CCCCCC > InChI=1S/C46H83N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h13,15,33-34,38-39,43-45,52-53H,3-12,14,16-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b15-13-/t38-,39-,43?,44+,45-/m1/s1 > SUOOPPGQEZMSRO-PDKKHWMPSA-N > C46H83N3O15P2 > 980.1098 > 979.529942025 > 12 > 149 > 108.33133386200299 > 0 > 5 > 0 > 0 > {[(2R,4S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid > 6.50 > 10.083965452000001 > -5.35 > 0 > 2 > -2 > 3.2716255536258676 > 1.8631673662376511 > -0.03198989821723941 > 263.27 > 250.52910000000006 > 43 > 0 > 4.36e-03 g/l > [(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy([(2R)-3-(hexadecanoyloxy)-2-[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy)phosphinic acid > 0 > BMDB0006970 > CDP-DG(16:0/18:1(11Z)) > 1-hexadecanoyl-2-(11Z-octadecenoyl)-sn-glycero-3-CDP; 1-palmitoyl-2-vaccenoyl-sn-glycero-3-cytidine-5'-diphosphate; CDP-DG(16:0/18:1); CDP-DG(16:0/18:1n7); CDP-DG(16:0/18:1w7); CDP-DG(34:1); CDP-Diacylglycerol(16:0/18:1); CDP-Diacylglycerol(16:0/18:1n7); CDP-Diacylglycerol(16:0/18:1w7); CDP-Diacylglycerol(34:1) $$$$