Mrv1572004261611242D 73 72 0 0 1 0 999 V2000 29.8756 -8.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2967 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6322 -7.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0612 -6.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7592 -7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1611 -8.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1611 -7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0112 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4466 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4466 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7257 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7322 -5.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7322 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4401 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0177 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3032 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5887 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8743 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1598 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1598 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4453 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4414 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7309 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1559 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0164 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8704 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3019 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5849 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5874 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2993 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8730 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0138 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1585 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4440 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4427 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3006 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5862 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5862 -3.5724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7296 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 -7.0638 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 17.7296 -2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 -4.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -5.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -6.4599 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.0151 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6967 -5.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -5.6349 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.0177 -6.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4466 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3032 -5.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5887 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4453 -4.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8743 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7309 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0164 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3006 -3.9849 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 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 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 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 14 1 0 0 0 0 64 16 1 0 0 0 0 65 20 1 0 0 0 0 66 21 1 0 0 0 0 67 22 1 0 0 0 0 68 23 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 50 73 1 1 0 0 0 M CHG 2 53 1 57 -1 M END > CHEM037964 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C52H94NO8P/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/h14,16,20-23,26,28,32,34,50H,6-13,15,17-19,24-25,27,29-31,33,35-49H2,1-5H3/b16-14+,22-20+,23-21+,28-26+,34-32+/t50-/m1/s1 > VFMYSQOVWJIJDU-IJKFQEFSSA-N > C52H94NO8P > 892.297 > 891.671705989 > 4 > 156 > 110.11007252248535 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(13E)-docos-13-enoyloxy]-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.82 > 11.639012075861585 > -7.55 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316269899 > 111.19000000000001 > 276.66009999999994 > 47 > 0 > 2.70e-05 g/l > (2-{[(2R)-2-[(13E)-docos-13-enoyloxy]-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:4(7Z,10Z,13Z,16Z)/22:1(13Z)) $$$$