Mrv1652310061800482D 70 69 0 0 1 0 999 V2000 9.1855 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3328 -9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3328 -0.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9039 0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0309 0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3328 -8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6145 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0473 -8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3289 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7618 -8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0434 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7618 -9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7579 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4762 -9.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4724 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1907 -9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1868 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1907 -8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9013 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9052 -8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6158 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9052 -7.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3302 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1907 -6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0447 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1907 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7592 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4762 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4737 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7618 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1881 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7618 -6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9026 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0473 -7.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6171 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3328 -6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3315 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6184 -7.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3315 -4.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9039 -6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2059 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0460 -4.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6184 -1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4749 -4.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9039 -4.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1894 -4.8908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.9039 -6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6184 -0.3829 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 25.6184 -5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3328 -2.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0309 -3.9552 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 22.7605 -4.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2059 -2.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9039 -3.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1894 -5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6184 -3.2408 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.3328 -7.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4762 -8.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4762 -10.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9052 -9.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6197 -8.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.6197 -6.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9052 -5.7158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4762 -4.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4762 -7.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0473 -6.5408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6171 -4.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0460 -3.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1894 -4.0658 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 1 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 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 2 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 1 0 0 0 0 35 33 2 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 43 40 2 0 0 0 0 44 42 1 0 0 0 0 47 45 1 0 0 0 0 47 46 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 48 2 0 0 0 0 53 43 1 0 0 0 0 53 45 1 0 0 0 0 54 44 1 0 0 0 0 55 46 1 0 0 0 0 47 56 1 1 0 0 0 56 48 1 0 0 0 0 57 51 2 0 0 0 0 57 52 1 0 0 0 0 57 54 1 0 0 0 0 57 55 1 0 0 0 0 58 9 1 0 0 0 0 59 11 1 0 0 0 0 60 15 1 0 0 0 0 61 17 1 0 0 0 0 62 21 1 0 0 0 0 63 23 1 0 0 0 0 64 27 1 0 0 0 0 65 29 1 0 0 0 0 66 33 1 0 0 0 0 67 35 1 0 0 0 0 68 40 1 0 0 0 0 69 43 1 0 0 0 0 47 70 1 1 0 0 0 M CHG 2 49 1 52 -1 M END > BMDB0062856 > bmdb > [H]C(CC)=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@]([H])(CO\C([H])=C(\[H])CCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,27,29,33,35,40,43,47H,6-8,10,12-14,16,18-20,22,24-26,28,30-32,34,36-39,41-42,44-46H2,1-5H3/b11-9-,17-15-,23-21-,29-27-,35-33+,43-40-/t47-/m1/s1 > XYEFBZWZKDHDHK-MJTNXTAESA-N > C48H86NO7P > 820.19 > 819.614191111 > 4 > 143 > 100.93167685276623 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(1Z)-icos-1-en-1-yloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 6.69 > 10.253512056861586 > -7.39 > 0 > 0 > 0 > 1.8550574852833202 > -4.731743638601754 > 94.12000000000002 > 258.59460000000007 > 42 > 0 > 3.56e-05 g/l > (2-{[(2R)-3-[(1Z)-icos-1-en-1-yloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium > 0 > BMDB0062856 > PC(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) $$$$