Mrv1572004261611272D 71 70 0 0 1 0 999 V2000 25.6821 -10.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 -1.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9486 -6.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2735 -5.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1028 -6.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9250 -10.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4021 -1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8304 -9.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 -2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0733 -8.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 -3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9787 -8.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3485 -3.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2216 -7.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1056 -4.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1270 -7.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 -3.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3699 -6.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5251 -4.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2753 -5.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9377 -5.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8431 -4.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0860 -4.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9914 -3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9446 -3.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2343 -3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5719 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8148 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3641 -3.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1524 -3.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0265 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3953 -3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7836 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7328 -3.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 -3.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9758 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 -3.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8811 -2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8655 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1193 -5.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2997 -5.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7046 -2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1368 -3.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0421 -3.0806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1241 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6226 -3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6110 -6.1832 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.0294 -1.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7172 -4.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 -5.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0831 -5.8671 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.4616 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8080 -4.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8938 -4.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2850 -2.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9885 -5.0476 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.5592 -8.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7894 -6.5228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6734 -2.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -4.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5182 -5.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6948 -5.7032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4236 -4.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6538 -2.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6665 -4.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7202 -2.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3007 -2.5889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8275 -4.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7992 -3.4084 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 2 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 1 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 16 1 0 0 0 0 61 17 1 0 0 0 0 62 19 1 0 0 0 0 63 20 1 0 0 0 0 64 22 1 0 0 0 0 65 24 1 0 0 0 0 66 25 1 0 0 0 0 67 28 1 0 0 0 0 68 30 1 0 0 0 0 69 34 1 0 0 0 0 70 36 1 0 0 0 0 46 71 1 1 0 0 0 M CHG 2 49 1 53 -1 M END > CHEM037982 > chemdb > [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=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/C48H84NO8P/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/h14,16-17,19-20,22,24-25,28,30,34,36,46H,6-13,15,18,21,23,26-27,29,31-33,35,37-45H2,1-5H3/b16-14+,19-17+,22-20+,25-24+,30-28+,36-34+/t46-/m1/s1 > IDZSNKUFNURDOS-OOCIEJIOSA-N > C48H84NO8P > 834.173 > 833.593455667 > 4 > 142 > 100.36427113034097 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11E)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.15 > 9.498815759194922 > -7.48 > 0 > 0 > 0 > 1.8550572064425017 > -6.745888111558158 > 111.19000000000001 > 259.37270000000007 > 42 > 0 > 2.95e-05 g/l > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11E)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) $$$$