Mrv1572004261611592D 77 76 0 0 1 0 999 V2000 -15.6643 -3.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0182 -9.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -9.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 -8.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 -10.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5807 -4.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3492 -10.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8281 -4.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5966 -10.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7445 -5.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9276 -10.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9919 -5.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1750 -10.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9083 -6.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 -10.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1557 -6.7199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7534 -10.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4867 -6.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0845 -10.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7341 -6.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3318 -10.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0651 -6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -9.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3125 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 -9.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6435 -5.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8909 -6.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8266 -9.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2219 -5.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4693 -6.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 -9.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8004 -5.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4051 -9.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0478 -5.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 -9.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3788 -5.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -8.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6262 -5.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 -8.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9572 -5.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7326 -7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2046 -5.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -7.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 -5.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -5.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5654 -5.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -8.7338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3076 -4.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 -6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 -5.2715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1140 -5.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 -5.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0068 -9.4028 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1976 -4.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1507 -4.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -8.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 -7.4795 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3614 -5.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -7.3122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4748 -6.5751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7291 -4.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5584 -7.3958 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.5897 -11.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 -9.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6505 -7.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6629 -10.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1487 -5.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9172 -9.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9103 -10.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9904 -8.6028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 -10.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2378 -8.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 -7.1062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -6.7682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 -5.7543 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 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 26 1 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 28 2 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 2 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 2 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 49 48 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 53 46 1 0 0 0 0 54 47 1 0 0 0 0 55 3 1 0 0 0 0 55 4 1 0 0 0 0 55 5 1 0 0 0 0 55 48 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 60 50 1 0 0 0 0 60 53 1 0 0 0 0 61 49 1 0 0 0 0 62 51 1 0 0 0 0 52 63 1 6 0 0 0 63 54 1 0 0 0 0 64 58 2 0 0 0 0 64 59 1 0 0 0 0 64 61 1 0 0 0 0 64 62 1 0 0 0 0 65 15 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 22 1 0 0 0 0 70 23 1 0 0 0 0 71 28 1 0 0 0 0 72 31 1 0 0 0 0 73 35 1 0 0 0 0 74 37 1 0 0 0 0 75 41 1 0 0 0 0 76 43 1 0 0 0 0 52 77 1 6 0 0 0 M CHG 2 55 1 59 -1 M END > CHEM038132 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC([H])=C([H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C54H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,31,35,37,41,43,52H,6-14,16,18-19,24-27,29-30,32-34,36,38-40,42,44-51H2,1-5H3/b17-15+,22-20+,23-21+,31-28+,37-35+,43-41-/t52-/m1/s1 > FGIIFBRYECPDEE-KIZUZCSVSA-N > C54H96NO8P > 918.335 > 917.687356053 > 4 > 160 > 114.49063852695855 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 7.07 > 12.166227749194917 > -7.52 > 0 > 0 > 0 > 1.8550572063969666 > -6.745836960692002 > 111.19000000000001 > 286.9786999999999 > 48 > 0 > 2.92e-05 g/l > (2-{[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$