Mrv1572004261613022D 72 71 0 0 1 0 999 V2000 1.3205 -14.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2408 -3.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 -13.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4306 -3.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 -13.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8905 -2.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -13.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0804 -3.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0209 -13.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -12.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 -2.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 -12.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -3.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -12.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -3.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -11.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -4.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1813 -10.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -10.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4513 -9.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2615 -9.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -4.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 -8.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5315 -8.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1901 -6.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0716 -7.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -7.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 -6.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 -7.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9914 -6.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 -6.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 -5.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -6.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7804 -6.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 -6.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 -3.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 -2.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 -5.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -4.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 -5.2480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5905 -6.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5610 -6.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -2.5252 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 -7.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0209 -6.8071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 -2.7952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 -2.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 -5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -3.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 -3.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -5.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4808 -3.0653 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.1606 -2.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8104 -3.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -11.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1901 -1.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -13.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 -4.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8311 -11.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 -4.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9914 -11.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1813 -8.6781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5315 -10.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7302 -4.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7214 -8.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8817 -7.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4513 -7.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2615 -5.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 -5.0921 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 2 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 6 1 0 0 0 0 57 8 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 > CHEM038495 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)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/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/h6,8,11-14,17-19,21-23,26,28,32,34,43H,3-5,7,9-10,15-16,20,24-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b8-6+,13-11+,14-12+,19-17+,22-21+,23-18+,28-26+,34-32+/t43-/m1/s1 > MIAGEQWEGTUBSR-RAJIWRGKSA-N > C45H74NO8P > 788.06 > 787.515205345 > 5 > 129 > 92.17363538842547 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid > 8.28 > 11.112091425803426 > -7.02 > 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)-docosa-4,7,10,13,16-pentaenoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propoxy)phosphinic acid > 0 > PE(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$