Mrv1572004261611252D 75 74 0 0 1 0 999 V2000 0.3908 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3960 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2987 -8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7276 -7.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4256 -8.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1053 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1105 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8249 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5394 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2487 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2539 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9684 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6828 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3921 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3973 -0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1118 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1118 -1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5355 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8262 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8262 -2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6789 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1118 -3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1118 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1079 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3973 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8224 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6828 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5368 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9684 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2513 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2539 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9658 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5394 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6802 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8249 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3947 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1105 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6006 -7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7756 -7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9671 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2526 -5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2526 -4.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.3960 -3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8237 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0131 -7.7783 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 20.3960 -3.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8237 -5.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7131 -6.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5381 -7.1743 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.6815 -4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3631 -6.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5381 -5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5381 -3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5381 -6.3493 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.9684 0.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6828 -1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 -3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8262 -0.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8211 -5.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3973 -1.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5407 -3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3973 -2.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3973 -5.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6828 -3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9671 -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 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 1 0 0 0 0 17 15 2 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 21 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 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 2 0 0 0 0 37 35 1 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 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 49 48 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 53 46 1 0 0 0 0 54 47 1 0 0 0 0 55 3 1 0 0 0 0 55 4 1 0 0 0 0 55 5 1 0 0 0 0 55 48 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 60 50 1 0 0 0 0 60 53 1 0 0 0 0 61 49 1 0 0 0 0 62 51 1 0 0 0 0 52 63 1 1 0 0 0 63 54 1 0 0 0 0 64 58 2 0 0 0 0 64 59 1 0 0 0 0 64 61 1 0 0 0 0 64 62 1 0 0 0 0 65 15 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 22 1 0 0 0 0 70 23 1 0 0 0 0 71 28 1 0 0 0 0 72 30 1 0 0 0 0 73 34 1 0 0 0 0 74 36 1 0 0 0 0 52 75 1 1 0 0 0 M CHG 2 55 1 59 -1 M END > CHEM037971 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,52H,6-14,16,18-19,24-27,29,31-33,35,37-51H2,1-5H3/b17-15+,22-20+,23-21+,30-28+,36-34+/t52-/m1/s1 > RDVPCWQGFINSTH-JYWOCLLISA-N > C54H98NO8P > 920.351 > 919.703006118 > 4 > 162 > 114.64376386942612 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-2-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 7.09 > 12.528149405861587 > -7.56 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316269899 > 111.19000000000001 > 285.8620999999999 > 49 > 0 > 2.71e-05 g/l > (2-{[(2R)-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-2-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) $$$$