Mrv1572004261610462D 71 70 0 0 1 0 999 V2000 -0.8467 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3006 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6322 -7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0612 -6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7592 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0151 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7296 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4440 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1585 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8730 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5874 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3019 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0164 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0164 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7309 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7309 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0164 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0164 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8704 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3019 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5849 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5874 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2993 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8730 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0138 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1585 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4440 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4427 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3006 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5862 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5862 -3.5724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7296 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 -7.0638 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.7296 -2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 -4.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -5.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -6.4599 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.0151 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6967 -5.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -5.6349 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.8730 1.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5874 -0.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7309 0.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3019 -1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4453 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3019 -1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3019 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5874 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3006 -3.9849 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 24 1 0 0 0 0 26 23 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 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 45 44 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 49 42 1 0 0 0 0 50 43 1 0 0 0 0 51 3 1 0 0 0 0 51 4 1 0 0 0 0 51 5 1 0 0 0 0 51 44 1 0 0 0 0 52 49 2 0 0 0 0 53 50 2 0 0 0 0 56 46 1 0 0 0 0 56 49 1 0 0 0 0 57 45 1 0 0 0 0 58 47 1 0 0 0 0 48 59 1 1 0 0 0 59 50 1 0 0 0 0 60 54 2 0 0 0 0 60 55 1 0 0 0 0 60 57 1 0 0 0 0 60 58 1 0 0 0 0 61 15 1 0 0 0 0 62 17 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 23 1 0 0 0 0 67 28 1 0 0 0 0 68 30 1 0 0 0 0 69 34 1 0 0 0 0 70 36 1 0 0 0 0 48 71 1 1 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM037767 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\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/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,34,36,48H,6-14,16,18-19,24-27,29,31-33,35,37-47H2,1-5H3/b17-15+,22-20+,23-21+,30-28+,36-34+/t48-/m1/s1 > OEVPFOYLDULCHG-AUVHKGRTSA-N > C50H90NO8P > 864.243 > 863.64040586 > 4 > 150 > 106.32234796253081 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(13E)-docos-13-enoyloxy]-3-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.60 > 10.749874745861586 > -7.50 > 0 > 0 > 0 > 1.8550572064467632 > -6.744219009617095 > 111.19000000000001 > 267.45809999999994 > 45 > 0 > 2.92e-05 g/l > (2-{[(2R)-2-[(13E)-docos-13-enoyloxy]-3-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) $$$$