Mrv1572004261611182D 77 76 0 0 1 0 999 V2000 -14.3783 9.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 9.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 8.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5474 9.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6638 8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6638 7.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9493 7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4848 4.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9493 6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1993 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2349 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1993 2.9388 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 8.4848 2.5263 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 8.4848 1.7013 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 7.7703 1.2888 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 7.0559 1.7013 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 6.3414 1.2888 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 5.6269 1.7013 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 5.6269 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2336 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 2.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 4.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0901 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6269 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3757 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6612 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9467 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2323 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 6.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6256 5.4138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5178 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 5.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1349 8.9052 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5178 4.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 6.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1651 7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 8.3013 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8033 5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5151 7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 6.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 7.4763 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.1993 5.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 3.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5204 6.6513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9137 2.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9493 5.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8059 6.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 0.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0914 4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0559 2.5263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 1.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3414 2.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 4.1763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3414 3.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0888 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 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 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 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 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 47 46 1 0 0 0 0 50 48 1 0 0 0 0 50 49 1 0 0 0 0 51 44 1 0 0 0 0 52 45 1 0 0 0 0 53 3 1 0 0 0 0 53 4 1 0 0 0 0 53 5 1 0 0 0 0 53 46 1 0 0 0 0 54 51 2 0 0 0 0 55 52 2 0 0 0 0 58 48 1 0 0 0 0 58 51 1 0 0 0 0 59 47 1 0 0 0 0 60 49 1 0 0 0 0 50 61 1 1 0 0 0 61 52 1 0 0 0 0 62 56 2 0 0 0 0 62 57 1 0 0 0 0 62 59 1 0 0 0 0 62 60 1 0 0 0 0 63 9 1 0 0 0 0 64 11 1 0 0 0 0 65 14 1 0 0 0 0 66 15 1 0 0 0 0 67 16 1 0 0 0 0 68 17 1 0 0 0 0 69 20 1 0 0 0 0 70 21 1 0 0 0 0 71 22 1 0 0 0 0 72 23 1 0 0 0 0 73 27 1 0 0 0 0 74 29 1 0 0 0 0 75 33 1 0 0 0 0 76 35 1 0 0 0 0 50 77 1 1 0 0 0 M CHG 2 53 1 57 -1 M END > CHEM037935 > 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])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C52H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,27,29,33,35,50H,6-8,10,12-13,18-19,24-26,28,30-32,34,36-49H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,23-21+,29-27+,35-33+/t50-/m1/s1 > DJXCQMRHNVRYIK-GTNZBRBPSA-N > C52H90NO8P > 888.265 > 887.64040586 > 4 > 152 > 107.43719104117788 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(13E,16E)-docosa-13,16-dienoyloxy]-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.48 > 10.915168762528252 > -7.50 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316060262 > 111.19000000000001 > 278.89329999999995 > 45 > 0 > 2.98e-05 g/l > (2-{[(2R)-3-[(13E,16E)-docosa-13,16-dienoyloxy]-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$