Mrv1572004261613452D 70 69 0 0 1 0 999 V2000 -12.4315 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7715 -3.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6388 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9789 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4407 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7807 -2.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6481 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9881 -2.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4499 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7899 -1.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6573 -0.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9973 -1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4591 -1.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7991 -0.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6665 -1.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0065 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0720 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2794 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6194 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6849 -0.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0249 -1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8830 0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2886 0.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 -0.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4867 1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2415 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8922 2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0996 1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5051 2.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4396 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8359 3.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3194 5.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5185 5.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 2.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 4.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 3.4019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3254 2.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 3.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 6.3683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 1.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8451 4.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 5.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 6.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 3.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9465 5.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 4.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4488 3.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 5.5756 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.0628 -0.0303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0536 -1.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2701 -0.2591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -1.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0812 -2.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 0.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6757 0.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6378 -1.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4959 0.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6286 0.3129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0904 2.8299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 0.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9015 0.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 1.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1364 3.6307 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 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 2 0 0 0 0 14 12 1 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 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 0 0 0 0 27 25 1 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 2 0 0 0 0 32 30 2 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 1 0 0 0 0 38 36 1 0 0 0 0 40 39 1 0 0 0 0 43 41 1 0 0 0 0 43 42 1 0 0 0 0 44 37 1 0 0 0 0 45 38 1 0 0 0 0 46 39 1 0 0 0 0 47 44 2 0 0 0 0 48 45 2 0 0 0 0 51 41 1 0 0 0 0 51 44 1 0 0 0 0 52 40 1 0 0 0 0 53 42 1 0 0 0 0 43 54 1 1 0 0 0 54 45 1 0 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 11 1 0 0 0 0 57 13 1 0 0 0 0 58 17 1 0 0 0 0 59 18 1 0 0 0 0 60 19 1 0 0 0 0 61 20 1 0 0 0 0 62 23 1 0 0 0 0 63 24 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 30 1 0 0 0 0 68 31 1 0 0 0 0 69 32 1 0 0 0 0 43 70 1 1 0 0 0 M END > CHEM038717 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)OC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC > InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-26,29-32,43H,3-10,12,14-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b13-11+,19-17+,20-18+,25-23+,26-24+,31-29+,32-30+/t43-/m1/s1 > CIUUBTODGJJDIL-SPTNPTGJSA-N > C45H76NO8P > 790.076 > 789.530855409 > 5 > 131 > 92.66038676005681 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-2-[(5E,8E,11E)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid > 8.73 > 11.474013082470092 > -7.09 > 0 > 0 > 0 > 1.8688003136578408 > 9.999929336362278 > 134.38000000000002 > 235.6281000000001 > 40 > 0 > 6.36e-05 g/l > 2-aminoethoxy((2R)-3-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-2-[(5E,8E,11E)-icosa-5,8,11-trienoyloxy]propoxy)phosphinic acid > 0 > PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) $$$$