Mrv1652303302019582D 55 54 0 0 1 0 999 V2000 -10.1176 -5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6348 -6.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 -7.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -7.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 -8.3655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3549 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8721 -6.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7011 -6.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2184 -6.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9385 -5.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4557 -6.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2847 -6.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8019 -5.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 -6.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0393 -6.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8683 -6.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -5.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1056 -6.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6228 -5.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9966 -5.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9691 -5.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2340 -5.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -4.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4243 -4.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 -3.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6616 -4.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6698 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0079 -3.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9071 -2.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2534 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5915 -3.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 -2.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8288 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 -3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -3.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 -6.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -6.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3422 -3.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -4.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -3.7207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0742 -3.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 -3.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 -7.6028 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9653 -2.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 -4.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -5.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 -6.6772 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4205 -3.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 -5.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5407 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 -3.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -5.8595 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -4.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 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 1 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 2 0 0 0 0 16 18 1 4 0 0 0 17 19 1 4 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 22 24 1 4 0 0 0 23 25 1 4 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 2 0 0 0 0 30 28 1 0 0 0 0 29 31 1 4 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 37 35 1 0 0 0 0 39 38 1 0 0 0 0 42 40 1 0 0 0 0 42 41 1 0 0 0 0 43 36 1 0 0 0 0 44 37 1 0 0 0 0 45 3 1 0 0 0 0 45 4 1 0 0 0 0 45 5 1 0 0 0 0 45 38 1 0 0 0 0 46 43 2 0 0 0 0 47 44 2 0 0 0 0 50 40 1 0 0 0 0 50 43 1 0 0 0 0 51 39 1 0 0 0 0 52 41 1 0 0 0 0 42 53 1 6 0 0 0 53 44 1 0 0 0 0 54 48 2 0 0 0 0 54 49 1 0 0 0 0 54 51 1 0 0 0 0 54 52 1 0 0 0 0 42 55 1 6 0 0 0 M CHG 2 45 1 49 -1 M END > CDB001027 > CDB > [H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC=CCC=CCC=CCCCCC > InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,42H,6-13,18-19,24-26,28,30-41H2,1-5H3/t42-/m1/s1 > ZYUVFKWRZDKQNL-HUESYALOSA-N > C44H78NO8P > 780.0658 > 779.546504989 > 4 > 132 > 92.54714797408744 > 0 > 0 > 0 > 0 > trimethyl(2-{[(2R)-2-(octadeca-6,9,12-trienoyloxy)-3-(octadeca-9,12-dienoyloxy)propyl phosphono]oxy}ethyl)azanium > 5.56 > 8.082462755861588 > -7.43 > 0 > 0 > 0 > 1.8550572064469115 > -6.744160237391408 > 111.19 > 239.85209999999998 > 39 > 0 > 3.11e-05 g/l > trimethyl(2-{[(2R)-2-(octadeca-6,9,12-trienoyloxy)-3-(octadeca-9,12-dienoyloxy)propyl phosphono]oxy}ethyl)azanium > 0 > CDB001027 > PC(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) $$$$