Mrv1572004261611452D 75 74 0 0 1 0 999 V2000 33.0947 2.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9461 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9039 11.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4749 10.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7769 11.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8091 2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8091 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5236 0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0895 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2381 1.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8039 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2381 2.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5184 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9525 2.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2329 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9525 3.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9474 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6670 3.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6618 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6670 4.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3763 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9525 5.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0908 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2381 4.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8052 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5236 5.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5197 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8091 4.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2342 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0947 5.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9487 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0947 5.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6631 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3802 6.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3776 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3802 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0921 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6657 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8065 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9512 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5210 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2368 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2355 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6019 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4269 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0934 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3789 8.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3789 7.5572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.5223 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9499 7.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1894 11.0487 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 29.5223 6.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9499 8.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4894 9.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6644 10.4447 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 28.8078 7.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8394 9.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6644 8.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6644 7.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6644 9.6197 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 33.0947 0.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5236 0.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5236 2.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 36.6670 2.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.3815 3.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.3815 5.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.2381 3.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.5236 5.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.3802 4.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.8091 6.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.0947 7.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.6657 8.3822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.0934 7.9697 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 19 1 0 0 0 0 22 20 2 0 0 0 0 23 21 1 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 2 0 0 0 0 29 27 1 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 2 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 40 38 2 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 6 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 8 1 0 0 0 0 64 10 1 0 0 0 0 65 14 1 0 0 0 0 66 16 1 0 0 0 0 67 20 1 0 0 0 0 68 22 1 0 0 0 0 69 26 1 0 0 0 0 70 28 1 0 0 0 0 71 32 1 0 0 0 0 72 34 1 0 0 0 0 73 38 1 0 0 0 0 74 40 1 0 0 0 0 50 75 1 6 0 0 0 M CHG 2 53 1 57 -1 M END > CHEM038062 > 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)CCCCCCCCCCCCCCCCCCCCC > InChI=1S/C52H92NO8P/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/h8,10,14,16,20,22,26,28,32,34,38,40,50H,6-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8-,16-14+,22-20-,28-26+,34-32+,40-38-/t50-/m1/s1 > SWFIGWBNQFRSBV-DNIUEVIQSA-N > C52H92NO8P > 890.281 > 889.656055924 > 4 > 154 > 109.70896646973725 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4Z,7E,10E,13Z,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(docosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 6.86 > 11.277090419194918 > -7.53 > 0 > 0 > 0 > 1.8550572064425017 > -6.745888111558158 > 111.19000000000001 > 277.77669999999995 > 46 > 0 > 2.77e-05 g/l > (2-{[(2R)-3-[(4Z,7E,10E,13Z,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-(docosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0) $$$$