Mrv1572004261609452D 73 72 0 0 1 0 999 V2000 4.8315 2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6013 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3592 7.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 8.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8868 7.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8868 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1724 6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1724 5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4579 5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4579 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7434 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1184 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1184 2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3145 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8855 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1711 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4566 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0276 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 4.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5987 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6448 7.7783 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5987 3.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 5.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 6.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 7.1743 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8842 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 6.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2592 3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 6.3493 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 1.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 0.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 -0.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 1.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 5.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8328 1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 2.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1184 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3145 3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 5.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 5.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 4.6993 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 2 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 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 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 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 21 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 2 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 2 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 43 42 1 0 0 0 0 46 44 1 0 0 0 0 46 45 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 3 1 0 0 0 0 49 4 1 0 0 0 0 49 5 1 0 0 0 0 49 42 1 0 0 0 0 50 47 2 0 0 0 0 51 48 2 0 0 0 0 54 44 1 0 0 0 0 54 47 1 0 0 0 0 55 43 1 0 0 0 0 56 45 1 0 0 0 0 46 57 1 1 0 0 0 57 48 1 0 0 0 0 58 52 2 0 0 0 0 58 53 1 0 0 0 0 58 55 1 0 0 0 0 58 56 1 0 0 0 0 59 8 1 0 0 0 0 60 10 1 0 0 0 0 61 14 1 0 0 0 0 62 16 1 0 0 0 0 63 20 1 0 0 0 0 64 21 1 0 0 0 0 65 22 1 0 0 0 0 66 24 1 0 0 0 0 67 25 1 0 0 0 0 68 26 1 0 0 0 0 69 29 1 0 0 0 0 70 31 1 0 0 0 0 71 35 1 0 0 0 0 72 37 1 0 0 0 0 46 73 1 1 0 0 0 M CHG 2 49 1 53 -1 M END > CHEM037443 > chemdb > [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)CCCCCCC\C([H])=C(/[H])CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,15,17-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8+,16-14+,22-20+,25-24+,26-21+,31-29+,37-35+/t46-/m1/s1 > FPEVDFOXMCHLKL-MULAXNGKSA-N > C48H82NO8P > 832.157 > 831.577805602 > 4 > 140 > 100.69433944724051 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9E)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.90 > 9.136894102528252 > -7.43 > 0 > 0 > 0 > 1.8550572063969666 > -6.745836960692035 > 111.19000000000001 > 260.48930000000007 > 41 > 0 > 3.27e-05 g/l > (2-{[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9E)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$