Mrv1572004261611462D 79 78 0 0 1 0 999 V2000 23.4758 -3.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 -6.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0236 -8.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6088 -7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0450 -8.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2685 -3.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4666 -2.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 -5.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2593 -2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 -4.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4574 -1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 -4.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8630 -0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2545 -3.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0611 0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0471 -3.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4666 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2453 -2.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6740 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0379 -2.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0795 0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6324 -3.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2869 0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0887 -0.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0195 -3.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2961 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8121 -3.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0979 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4066 -3.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3053 -1.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1992 -3.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7108 -0.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3974 -2.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9182 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 -2.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7200 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7845 -3.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9274 -2.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5771 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7292 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1716 -3.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3237 -3.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9642 -3.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5874 -7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7865 -6.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7385 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7477 -4.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9458 -4.1164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1256 -4.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5587 -3.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8162 -7.9285 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.7200 -4.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3606 -4.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9560 -5.7487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5587 -6.7477 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.3329 -4.4596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5577 -6.1450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9550 -5.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3513 -3.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7569 -5.9469 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.8722 -1.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8537 -2.7435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0703 -1.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -3.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8537 0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6416 -4.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4758 -0.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -1.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2777 1.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 -3.8875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6832 -0.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7016 0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1071 -2.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9090 0.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3145 -2.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3329 -1.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5403 -4.6884 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 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 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 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 8 1 0 0 0 0 64 10 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 26 1 0 0 0 0 74 28 1 0 0 0 0 75 32 1 0 0 0 0 76 34 1 0 0 0 0 77 38 1 0 0 0 0 78 40 1 0 0 0 0 50 79 1 1 0 0 0 M CHG 2 53 1 57 -1 M END > CHEM038064 > 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)CCCCCCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C52H88NO8P/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/h8,10,14-17,20-23,26,28,32,34,38,40,50H,6-7,9,11-13,18-19,24-25,27,29-31,33,35-37,39,41-49H2,1-5H3/b10-8+,16-14+,17-15+,22-20+,23-21+,28-26+,34-32+,40-38+/t50-/m1/s1 > SFVZXPPFJCSDPE-CSQQWOFJSA-N > C52H88NO8P > 886.249 > 885.624755796 > 4 > 150 > 105.79227541897572 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(13E,16E)-docosa-13,16-dienoyloxy]-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.27 > 10.553247105861587 > -7.47 > 0 > 0 > 0 > 1.8550572064425017 > -6.745888111558158 > 111.19000000000001 > 280.00989999999996 > 44 > 0 > 3.16e-05 g/l > (2-{[(2R)-2-[(13E,16E)-docosa-13,16-dienoyloxy]-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)) $$$$