Mrv1572004261619272D 69 68 0 0 0 0 999 V2000 -3.6533 5.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0664 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3954 -3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 -4.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 5.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3519 -4.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 4.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3519 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 4.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6374 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6374 -1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9230 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9230 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2085 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4940 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7796 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7954 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0651 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7954 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3506 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6362 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9217 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2072 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9204 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 -4.2059 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4914 -1.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 -2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -3.6020 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3493 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 -2.7770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -1.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -2.7770 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 4.2355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7967 4.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 3.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0822 1.7605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 2.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4940 -1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2243 0.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7796 0.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 2.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 0.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7954 -0.7145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 -1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 0.5230 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 2 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 24 1 0 0 0 0 26 23 1 0 0 0 0 27 25 2 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 2 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 41 38 2 0 0 0 0 42 40 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 46 39 1 0 0 0 0 47 3 1 0 0 0 0 47 4 1 0 0 0 0 47 5 1 0 0 0 0 47 40 1 0 0 0 0 48 46 2 0 0 0 0 51 41 1 0 0 0 0 51 43 1 0 0 0 0 52 42 1 0 0 0 0 53 44 1 0 0 0 0 54 45 1 0 0 0 0 54 46 1 0 0 0 0 55 49 2 0 0 0 0 55 50 1 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 8 1 0 0 0 0 57 10 1 0 0 0 0 58 14 1 0 0 0 0 59 16 1 0 0 0 0 60 20 1 0 0 0 0 61 21 1 0 0 0 0 62 22 1 0 0 0 0 63 23 1 0 0 0 0 64 25 1 0 0 0 0 65 27 1 0 0 0 0 66 31 1 0 0 0 0 67 33 1 0 0 0 0 68 38 1 0 0 0 0 69 41 1 0 0 0 0 M CHG 2 47 1 50 -1 M END > CHEM040117 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(\[H])CCCC(=O)OC(CO\C([H])=C(/[H])CCCCCC\C([H])=C(/[H])CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C46H80NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8+,16-14+,22-20+,23-21+,27-25+,33-31-,41-38+ > ZODCGHWSTRZXKA-QTWYBBQYSA-N > C46H80NO7P > 790.12 > 789.567240918 > 4 > 135 > 96.3133235689204 > 0 > 0 > 0 > 0 > [2-({2-[(5Z,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(1E,9E)-octadeca-1,9-dien-1-yloxy]propyl phosphonato}oxy)ethyl]trimethylazanium > 6.11 > 9.002453070194921 > -7.33 > 0 > 0 > 0 > 1.8550574852833202 > -4.731743638602922 > 94.12000000000002 > 250.50920000000005 > 39 > 0 > 3.96e-05 g/l > [2-({2-[(5Z,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-3-[(1E,9E)-octadeca-1,9-dien-1-yloxy]propyl phosphonato}oxy)ethyl]trimethylazanium > 0 > PC(P-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) $$$$