Mrv1572004261610102D 71 70 0 0 1 0 999 V2000 4.3934 4.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6378 4.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4787 10.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1305 9.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3289 10.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 5.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9637 4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9926 5.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0386 3.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 6.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3645 2.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 7.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4394 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 7.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7653 1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0148 7.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0164 1.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0897 6.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3423 1.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8386 6.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5933 1.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9135 5.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3366 5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0855 5.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7596 5.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5086 5.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5184 2.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1827 5.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7695 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9316 5.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6946 3.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6057 5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3686 4.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3547 5.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2937 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0287 5.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9678 5.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7777 5.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8929 6.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4518 6.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1439 6.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2007 5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2803 8.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1018 8.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0468 6.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2230 7.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2979 6.3850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4699 6.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8748 6.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8046 9.5725 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 21.5448 5.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7999 7.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2207 8.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3242 9.1957 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 20.7209 6.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5775 8.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4740 7.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6238 5.9094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3991 8.3742 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.7876 2.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6155 3.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8402 0.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9415 2.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 6.6445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9193 1.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2395 4.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1925 3.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9456 4.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1176 3.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9719 6.8607 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 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 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 21 2 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 2 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 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 6 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 9 1 0 0 0 0 62 11 1 0 0 0 0 63 15 1 0 0 0 0 64 17 1 0 0 0 0 65 20 1 0 0 0 0 66 21 1 0 0 0 0 67 22 1 0 0 0 0 68 28 1 0 0 0 0 69 32 1 0 0 0 0 70 34 1 0 0 0 0 48 71 1 6 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM037577 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C([H])=C(/[H])CCCCCCCC > InChI=1S/C50H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-22,28,32,34,48H,6-8,10,12-14,16,18-19,23-27,29-31,33,35-47H2,1-5H3/b11-9+,17-15+,22-20+,28-21+,34-32+/t48-/m1/s1 > ASXUZHUMYDXYIQ-AUJBRNBOSA-N > C50H90NO8P > 864.243 > 863.64040586 > 4 > 150 > 107.57984957307565 > 0 > 0 > 0 > 0 > trimethyl(2-{[(2R)-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)azanium > 6.60 > 10.749874745861586 > -7.49 > 0 > 0 > 0 > 1.8550572064469115 > -6.744160265632107 > 111.19000000000001 > 267.45809999999994 > 45 > 0 > 2.94e-05 g/l > trimethyl(2-{[(2R)-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]-2-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)azanium > 0 > PC(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) $$$$