PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Mrv1652302042021332D 56 55 0 0 0 0 999 V2000 -3.8020 0.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2446 0.7719 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 1.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1679 0.0574 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0969 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 0.3590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6679 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 -0.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 -0.3554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 1.1845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1843 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 1.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 0.7720 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2007 0.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2744 1.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3276 0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5121 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5121 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2262 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9403 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3686 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0827 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7968 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5109 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2251 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9392 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6533 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3674 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0815 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7957 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5098 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5095 -1.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9377 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6519 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4769 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9051 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7301 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4442 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1583 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9833 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6975 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4116 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2366 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9507 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6648 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4898 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2039 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9181 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7431 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4572 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1713 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 7 9 1 1 0 0 0 6 1 1 0 0 0 0 2 8 1 0 0 0 0 7 10 1 6 0 0 0 1 18 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 11 3 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 2 5 -1 14 1 M END > BMDB0007958 > bmdb > [H][C@@](COC(=O)CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C45H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,32,34,43H,6-7,9,11-13,15,17-19,22,25,27,29-31,33,35-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-,34-32-/t43-/m1/s1 > GEINPYKZLFHHIL-HEXXMCQTSA-N > C45H78NO8P > 792.0765 > 791.546504989 > 4 > 133 > 93.42906555246543 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(pentadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium > 5.63 > 8.165109764194918 > -7.43 > 0 > 0 > 0 > 1.8550572063969684 > -6.745836960692002 > 111.19 > 245.56970000000007 > 39 > 0 > 3.16e-05 g/l > (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(pentadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium > 0 > BMDB0007958 > PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$