Mrv1572004261611402D 68 67 0 0 1 0 999 V2000 21.5230 -11.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8546 -9.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2835 -8.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9815 -9.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2374 -11.1888 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 22.9519 -11.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6664 -11.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0914 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6664 -10.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8059 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 -9.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 -9.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2349 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0953 -8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8098 -9.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 -8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 -7.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 -7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 -6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 -6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5243 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6638 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8098 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0953 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3783 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6664 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8072 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9519 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5217 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2374 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2362 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1565 -8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3315 -8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 -5.4138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5230 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9506 -5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5690 -8.9052 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 21.5230 -4.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9506 -6.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2690 -7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 -8.3013 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 20.8085 -5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9190 -7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 -6.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6651 -5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 -7.4763 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.9519 -12.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 -11.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0953 -10.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6664 -8.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8098 -9.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 -9.1263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9532 -7.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9532 -6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2387 -5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8098 -4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3809 -4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6664 -6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0940 -5.8263 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 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 2 0 0 0 0 17 15 1 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 20 2 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 19 1 0 0 0 0 28 26 2 0 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 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 40 39 1 0 0 0 0 43 41 1 0 0 0 0 43 42 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 3 1 0 0 0 0 46 4 1 0 0 0 0 46 5 1 0 0 0 0 46 39 1 0 0 0 0 47 44 2 0 0 0 0 48 45 2 0 0 0 0 51 41 1 0 0 0 0 51 44 1 0 0 0 0 52 40 1 0 0 0 0 53 42 1 0 0 0 0 43 54 1 1 0 0 0 54 45 1 0 0 0 0 55 49 2 0 0 0 0 55 50 1 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 8 1 0 0 0 0 57 10 1 0 0 0 0 58 14 1 0 0 0 0 59 16 1 0 0 0 0 60 20 1 0 0 0 0 61 21 1 0 0 0 0 62 23 1 0 0 0 0 63 24 1 0 0 0 0 64 26 1 0 0 0 0 65 28 1 0 0 0 0 66 31 1 0 0 0 0 67 33 1 0 0 0 0 43 68 1 1 0 0 0 M CHG 2 46 1 50 -1 M END > CHEM038044 > chemdb > [H]\C(CC)=C(/[H])C\C([H])=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(/[H])CCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C45H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,31,33,43H,6-7,9,11-13,15,17-19,22,25,27,29-30,32,34-42H2,1-5H3/b10-8-,16-14+,21-20-,24-23-,28-26-,33-31+/t43-/m1/s1 > HRYWZKNWBVEPAC-UTPRNEOUSA-N > C45H78NO8P > 792.092 > 791.546505474 > 4 > 133 > 95.35477453331157 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4E,7Z,10Z,13Z,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(pentadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 5.62 > 8.165109764194918 > -7.43 > 0 > 0 > 0 > 1.8550572064425017 > -6.745888111558158 > 111.19000000000001 > 245.56970000000007 > 39 > 0 > 3.16e-05 g/l > (2-{[(2R)-3-[(4E,7Z,10Z,13Z,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(pentadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) $$$$