Mrv1572004261613412D 76 75 0 0 1 0 999 V2000 6.0690 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6506 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9362 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2217 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -4.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5072 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7927 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0783 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3638 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6493 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9269 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9349 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -2.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -6.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 -4.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 -3.5724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7901 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5427 -7.0638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7901 -2.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -4.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 -5.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -6.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 -5.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -4.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -3.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -5.6349 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -5.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0783 -1.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3559 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3638 -3.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2124 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2204 -1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6414 -0.6849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6493 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 -1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5059 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7914 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7835 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 -1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 -4.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 -2.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3612 -3.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 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 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 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 2 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 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 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 42 41 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 40 1 0 0 0 0 48 41 1 0 0 0 0 49 46 2 0 0 0 0 50 47 2 0 0 0 0 53 43 1 0 0 0 0 53 46 1 0 0 0 0 54 42 1 0 0 0 0 55 44 1 0 0 0 0 45 56 1 6 0 0 0 56 47 1 0 0 0 0 57 51 1 0 0 0 0 57 52 2 0 0 0 0 57 54 1 0 0 0 0 57 55 1 0 0 0 0 58 5 1 0 0 0 0 59 7 1 0 0 0 0 60 11 1 0 0 0 0 61 12 1 0 0 0 0 62 13 1 0 0 0 0 63 14 1 0 0 0 0 64 17 1 0 0 0 0 65 18 1 0 0 0 0 66 19 1 0 0 0 0 67 20 1 0 0 0 0 68 22 1 0 0 0 0 69 24 1 0 0 0 0 70 25 1 0 0 0 0 71 27 1 0 0 0 0 72 28 1 0 0 0 0 73 30 1 0 0 0 0 74 34 1 0 0 0 0 75 36 1 0 0 0 0 45 76 1 6 0 0 0 M END > CHEM038695 > 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])C\C([H])=C(/[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP(O)(=O)OCCN > InChI=1S/C47H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,22,24-25,27-28,30,34,36,45H,3-4,6,8-10,15-16,21,23,26,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b7-5+,13-11+,14-12+,19-17+,20-18+,24-22+,27-25+,30-28+,36-34+/t45-/m1/s1 > LUTNXVFWQGNCPZ-NURMIPIOSA-N > C47H76NO8P > 814.098 > 813.530855409 > 5 > 133 > 95.54747232975168 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid > 8.30 > 11.63930709913676 > -7.04 > 0 > 0 > 0 > 1.8688003136083817 > 9.999929336362278 > 134.38000000000002 > 247.06330000000008 > 40 > 0 > 7.49e-05 g/l > 2-aminoethoxy((2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy)phosphinic acid > 0 > PE(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$