Mrv1572004261610572D 75 74 0 0 1 0 999 V2000 11.4171 -3.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6362 2.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 1.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1967 -4.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0825 -0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8203 -3.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2385 0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5999 -3.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2235 -3.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7707 1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0676 -2.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6912 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5353 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 2.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7558 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0357 2.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5999 -0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8203 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1967 -0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4171 -0.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 1.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7935 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 0.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0139 -0.4444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9066 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3903 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6107 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -1.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2075 -0.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 -2.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 -1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4012 -1.5246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5839 -1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 1.5712 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7398 -2.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 -0.9845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 1.4459 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8043 -1.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8689 -0.1744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 0.6358 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6644 -2.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7558 -4.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2880 -2.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 3.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4708 -2.3347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 1.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1321 -1.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 2.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2235 0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4321 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3526 -1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2612 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 -0.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 0.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 0.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5462 -1.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 -0.9845 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 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 2 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 21 2 0 0 0 0 25 23 1 0 0 0 0 26 25 2 0 0 0 0 27 24 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 2 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 38 36 1 0 0 0 0 39 37 1 0 0 0 0 41 40 1 0 0 0 0 44 42 1 0 0 0 0 44 43 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 3 1 0 0 0 0 47 4 1 0 0 0 0 47 5 1 0 0 0 0 47 40 1 0 0 0 0 48 45 2 0 0 0 0 49 46 2 0 0 0 0 52 42 1 0 0 0 0 52 45 1 0 0 0 0 53 41 1 0 0 0 0 54 43 1 0 0 0 0 44 55 1 6 0 0 0 55 46 1 0 0 0 0 56 50 2 0 0 0 0 56 51 1 0 0 0 0 56 53 1 0 0 0 0 56 54 1 0 0 0 0 57 8 1 0 0 0 0 58 9 1 0 0 0 0 59 10 1 0 0 0 0 60 11 1 0 0 0 0 61 14 1 0 0 0 0 62 15 1 0 0 0 0 63 16 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 24 1 0 0 0 0 69 25 1 0 0 0 0 70 26 1 0 0 0 0 71 29 1 0 0 0 0 72 30 1 0 0 0 0 73 31 1 0 0 0 0 74 32 1 0 0 0 0 44 75 1 6 0 0 0 M CHG 2 47 1 51 -1 M END > CHEM037823 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC(=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])C\C([H])=C(/[H])CC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C46H74NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,44H,6-7,12-13,18-19,23,27-28,33-43H2,1-5H3/b10-8+,11-9+,16-14+,17-15+,22-20+,24-21+,26-25+,31-29+,32-30+/t44-/m1/s1 > DIKPCCMAVMXMTL-RMKBOBSMSA-N > C46H74NO8P > 800.071 > 799.515205345 > 4 > 130 > 93.1740706103528 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.10 > 7.523913459194922 > -7.31 > 0 > 0 > 0 > 1.8550572064467614 > -6.744219937966388 > 111.19000000000001 > 253.52050000000008 > 37 > 0 > 4.17e-05 g/l > (2-{[(2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z)) $$$$