Mrv1572004261614292D 72 71 0 0 1 0 999 V2000 23.2779 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8521 4.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5152 1.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0894 4.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8615 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 3.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0988 2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 4.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4450 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0192 3.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6824 2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2566 4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0286 2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 3.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2659 2.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1599 3.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6122 2.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8136 3.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7212 3.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0674 4.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3047 3.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3584 2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6510 4.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8883 4.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7793 3.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 1.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0167 2.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9077 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1912 1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5614 1.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4525 0.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6077 1.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6898 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 1.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0361 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0241 1.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8173 4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6351 4.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 0.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3122 2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2032 1.3885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2734 0.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7868 1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5028 5.2706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1644 -0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8957 2.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5852 3.4184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 4.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6196 1.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 3.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 2.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4405 1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 3.5273 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.5734 1.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1476 4.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1376 3.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2882 2.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8495 2.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5763 3.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4838 4.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 2.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1958 3.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7599 5.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 3.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4331 2.7725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 1.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3629 3.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9659 1.7031 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 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 24 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 0 0 0 0 29 27 2 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 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 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 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 20 1 0 0 0 0 66 22 1 0 0 0 0 67 24 1 0 0 0 0 68 26 1 0 0 0 0 69 27 1 0 0 0 0 70 28 1 0 0 0 0 71 29 1 0 0 0 0 45 72 1 6 0 0 0 M END > CHEM038928 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP(O)(=O)OCCN > InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,26-29,45H,3-10,15-16,21,23,25,30-44,48H2,1-2H3,(H,51,52)/b13-11+,14-12+,19-17+,20-18+,24-22+,28-26+,29-27+/t45-/m1/s1 > WFBRJPIZZIAWPB-FDUWLMBASA-N > C47H80NO8P > 818.13 > 817.562155538 > 5 > 137 > 96.6323719430892 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid > 8.93 > 12.36315041247009 > -7.15 > 0 > 0 > 0 > 1.8688003136581997 > 9.999929336362278 > 134.38000000000002 > 244.83010000000007 > 42 > 0 > 5.73e-05 g/l > 2-aminoethoxy((2R)-3-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy)phosphinic acid > 0 > PE(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) $$$$