Mrv1652303302019582D 55 54 0 0 1 0 999 V2000 -13.8552 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6119 8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7388 8.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1408 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4263 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7118 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 7.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9974 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2829 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 5.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5684 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 4.6993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7092 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3263 8.1908 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7092 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 6.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 7.5868 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9948 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 6.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 5.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 6.7618 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 5.1118 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 2 0 0 0 0 12 10 1 0 0 0 0 11 13 1 4 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 2 0 0 0 0 18 16 2 0 0 0 0 17 19 1 4 0 0 0 18 20 1 4 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 22 1 0 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 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 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 1 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 1 0 0 0 M CHG 2 45 1 49 -1 M END > CDB001016 > CDB > [H][C@@](COC(=O)CCCCCCCCCC=CCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC > InChI=1S/C44H80NO8P/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/h9,11,15-18,21,23,42H,6-8,10,12-14,19-20,22,24-41H2,1-5H3/t42-/m1/s1 > DPEYXLDDNACOGV-HUESYALOSA-N > C44H80NO8P > 782.0817 > 781.562155053 > 4 > 134 > 95.92639069567713 > 0 > 0 > 0 > 0 > trimethyl(2-{[(2R)-3-(octadec-11-enoyloxy)-2-(octadeca-9,12,15-trienoyloxy)propyl phosphono]oxy}ethyl)azanium > 5.69 > 8.444384412528256 > -7.42 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159309169722 > 111.19 > 238.73549999999997 > 40 > 0 > 3.17e-05 g/l > trimethyl(2-{[(2R)-3-(octadec-11-enoyloxy)-2-(octadeca-9,12,15-trienoyloxy)propyl phosphono]oxy}ethyl)azanium > 0 > CDB001016 > PC(18:1(11Z)/18:3(9Z,12Z,15Z)) $$$$