Mrv1572004261612492D 72 71 0 0 1 0 999 V2000 3.0971 -0.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5030 -1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9881 -0.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3941 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 -1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6314 -0.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5329 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5224 0.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1866 -2.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7597 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9493 -2.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6508 1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -2.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8881 1.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7791 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 -1.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0164 3.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2374 -1.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3463 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6926 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8016 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3627 2.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 1.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 0.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9463 2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1836 2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5298 2.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7671 2.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4239 2.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6582 3.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 3.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 2.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 6.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 6.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8253 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 4.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0627 3.2353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2418 3.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 3.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3467 6.9287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 3.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 5.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0269 6.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4791 3.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 5.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 4.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 2.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 5.1854 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -1.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 -2.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 -1.6084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3045 2.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 -3.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2343 1.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 -1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9075 3.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8911 -1.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9299 -0.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5643 0.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4716 1.7256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2762 0.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8404 2.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 1.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1866 2.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7164 3.7386 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 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 2 0 0 0 0 23 18 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 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 1 0 0 0 0 34 32 2 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 5 1 0 0 0 0 57 7 1 0 0 0 0 58 11 1 0 0 0 0 59 12 1 0 0 0 0 60 13 1 0 0 0 0 61 14 1 0 0 0 0 62 17 1 0 0 0 0 63 18 1 0 0 0 0 64 19 1 0 0 0 0 65 21 1 0 0 0 0 66 22 1 0 0 0 0 67 23 1 0 0 0 0 68 26 1 0 0 0 0 69 28 1 0 0 0 0 70 32 1 0 0 0 0 71 34 1 0 0 0 0 43 72 1 1 0 0 0 M END > CHEM038431 > 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)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP(O)(=O)OCCN > InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-19,21-23,26,28,32,34,43H,3-4,6,8-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b7-5+,13-11+,14-12+,19-17+,22-21+,23-18+,28-26+,34-32+/t43-/m1/s1 > HIZMZVSEIXACMP-YNKKTQOKSA-N > C45H74NO8P > 788.06 > 787.515205345 > 5 > 129 > 92.39406521764768 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 8.29 > 11.112091425803426 > -7.03 > 0 > 0 > 0 > 1.8688003136083817 > 9.999929336362278 > 134.38000000000002 > 236.74470000000008 > 39 > 0 > 7.44e-05 g/l > 2-aminoethoxy((2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid > 0 > PE(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$