Mrv1572004261619282D 72 71 0 0 1 0 999 V2000 2.7770 4.6480 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 2.0625 4.2355 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 1.3480 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 0.6336 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 -0.0809 4.6480 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 -0.7954 4.2355 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 -1.5099 4.6480 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 -2.2243 4.2355 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 -2.2243 3.4105 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 -2.9388 2.9980 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 -2.9388 2.1730 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 -2.2243 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 0.5230 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 0.6336 0.9355 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 1.3480 0.5230 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 2 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 -0.7954 3.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 5.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 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 -3.6533 3.4105 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 -1.5099 2.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9388 0.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7954 1.7605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 -0.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.9355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6336 -0.7145 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 5.6349 -1.1270 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 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 25 2 0 0 0 0 27 26 1 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 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 43 40 2 0 0 0 0 44 42 1 0 0 0 0 47 45 1 0 0 0 0 47 46 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 48 2 0 0 0 0 53 43 1 0 0 0 0 53 45 1 0 0 0 0 54 44 1 0 0 0 0 55 46 1 0 0 0 0 47 56 1 1 0 0 0 56 48 1 0 0 0 0 57 51 2 0 0 0 0 57 52 1 0 0 0 0 57 54 1 0 0 0 0 57 55 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 26 1 0 0 0 0 66 29 1 0 0 0 0 67 31 1 0 0 0 0 68 35 1 0 0 0 0 69 37 1 0 0 0 0 70 40 1 0 0 0 0 71 43 1 0 0 0 0 47 72 1 1 0 0 0 M CHG 2 49 1 52 -1 M END > CHEM040122 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCC\C([H])=C(/[H])OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=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 > InChI=1S/C48H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25-26,29,31,35,37,40,43,47H,6-13,15,17-19,24,27-28,30,32-34,36,38-39,41-42,44-46H2,1-5H3/b16-14+,22-20+,23-21+,26-25+,31-29+,37-35+,43-40+/t47-/m1/s1 > HJVOAEKCVMNQEX-QGJHBRHUSA-N > C48H84NO7P > 818.174 > 817.598541047 > 4 > 141 > 100.87281857890292 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(1E,9E)-octadeca-1,9-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.50 > 9.891590400194922 > -7.36 > 0 > 0 > 0 > 1.8550574852335924 > -4.731759348309318 > 94.12000000000002 > 259.7112000000001 > 41 > 0 > 3.84e-05 g/l > (2-{[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(1E,9E)-octadeca-1,9-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(P-18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$