Mrv1572004261611282D 73 72 0 0 1 0 999 V2000 12.9038 -6.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2460 -5.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7713 -4.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3232 -5.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6665 -6.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 -4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3202 -6.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 -4.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0829 -6.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7366 -7.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 -3.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4993 -6.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 -2.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1530 -7.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9157 -6.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0247 -6.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5336 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7874 -5.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8963 -4.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2426 -4.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3516 -3.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1873 -1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6978 -3.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9351 -3.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2814 -2.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6037 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5187 -3.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3664 -1.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8650 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0202 -2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9739 -1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7829 -1.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3202 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8918 -0.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5575 -1.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6545 -0.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6941 -4.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8764 -4.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4873 -1.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6157 -2.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7247 -1.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9038 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3082 -1.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0087 -5.0594 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.0127 -0.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1993 -1.9951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9263 -3.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6351 -4.1339 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1411 -1.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5618 -3.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8530 -2.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0709 -0.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7441 -3.3161 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.6083 -5.8952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2455 -2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0441 -8.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3157 -2.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3710 -5.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4411 -6.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4799 -4.7629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1143 -3.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 -2.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8262 -4.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3904 -2.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1023 -3.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7366 -1.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3784 -1.8693 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 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 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 21 2 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 29 26 1 0 0 0 0 30 28 2 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 2 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 43 42 1 0 0 0 0 46 44 1 0 0 0 0 46 45 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 3 1 0 0 0 0 49 4 1 0 0 0 0 49 5 1 0 0 0 0 49 42 1 0 0 0 0 50 47 2 0 0 0 0 51 48 2 0 0 0 0 54 44 1 0 0 0 0 54 47 1 0 0 0 0 55 43 1 0 0 0 0 56 45 1 0 0 0 0 46 57 1 1 0 0 0 57 48 1 0 0 0 0 58 52 2 0 0 0 0 58 53 1 0 0 0 0 58 55 1 0 0 0 0 58 56 1 0 0 0 0 59 14 1 0 0 0 0 60 15 1 0 0 0 0 61 16 1 0 0 0 0 62 17 1 0 0 0 0 63 20 1 0 0 0 0 64 21 1 0 0 0 0 65 22 1 0 0 0 0 66 24 1 0 0 0 0 67 25 1 0 0 0 0 68 26 1 0 0 0 0 69 28 1 0 0 0 0 70 30 1 0 0 0 0 71 34 1 0 0 0 0 72 36 1 0 0 0 0 46 73 1 1 0 0 0 M CHG 2 49 1 53 -1 M END > CHEM037984 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CC\C([H])=C(/[H])C\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/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-26,28,30,34,36,46H,6-13,18-19,23,27,29,31-33,35,37-45H2,1-5H3/b16-14+,17-15+,22-20+,25-24+,26-21+,30-28+,36-34+/t46-/m1/s1 > QSTSWBKMHLOFSW-CPXOJSIESA-N > C48H82NO8P > 832.157 > 831.577805602 > 4 > 140 > 97.70979590772579 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.87 > 9.136894102528252 > -7.44 > 0 > 0 > 0 > 1.8550572064425017 > -6.74588811155819 > 111.19000000000001 > 260.48930000000007 > 41 > 0 > 3.22e-05 g/l > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) $$$$