Mrv1572004261611592D 69 68 0 0 1 0 999 V2000 46.5887 1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7230 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1098 11.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6809 10.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9828 12.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.5887 2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8742 2.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1520 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.8742 3.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8664 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1598 4.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5809 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.1598 4.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2954 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4453 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0099 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4453 6.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7243 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7308 6.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4388 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.7308 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1533 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0163 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8677 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.3019 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5822 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.5874 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2967 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8729 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0112 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1585 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7256 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4440 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4401 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7295 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1546 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0150 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8690 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.3006 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5835 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5861 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2980 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8716 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0124 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.1572 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7269 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4427 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4414 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8078 10.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6328 10.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2993 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5848 8.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5848 7.8592 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.7282 7.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1559 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3953 11.3506 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 33.7282 6.6217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1559 8.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6953 9.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8703 10.7467 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 33.0137 7.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0453 9.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8703 9.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8703 7.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8703 9.9217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 43.0163 6.2092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.4453 7.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.2993 8.2717 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 1 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 1 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 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 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 46 44 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 47 1 0 0 0 0 51 50 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 48 1 0 0 0 0 56 49 1 0 0 0 0 57 3 1 0 0 0 0 57 4 1 0 0 0 0 57 5 1 0 0 0 0 57 50 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 62 52 1 0 0 0 0 62 55 1 0 0 0 0 63 51 1 0 0 0 0 64 53 1 0 0 0 0 54 65 1 6 0 0 0 65 56 1 0 0 0 0 66 60 2 0 0 0 0 66 61 1 0 0 0 0 66 63 1 0 0 0 0 66 64 1 0 0 0 0 67 20 1 0 0 0 0 68 22 1 0 0 0 0 54 69 1 6 0 0 0 M CHG 2 57 1 61 -1 M END > CHEM038135 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC > InChI=1S/C56H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,54H,6-19,21,23-53H2,1-5H3/b22-20+/t54-/m1/s1 > BNBYJCYFXMLSKO-OTIDQMSSSA-N > C56H110NO8P > 956.469 > 955.796906504 > 4 > 176 > 124.13866288376808 > 0 > 0 > 0 > 0 > trimethyl(2-{[(2R)-3-[(15E)-tetracos-15-enoyloxy]-2-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)azanium > 7.22 > 14.864973362528257 > -7.80 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159309169687 > 111.19000000000001 > 290.59769999999986 > 55 > 0 > 1.60e-05 g/l > trimethyl(2-{[(2R)-3-[(15E)-tetracos-15-enoyloxy]-2-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)azanium > 0 > PC(24:1(15Z)/24:0) $$$$