Mrv1572004261614342D 72 71 0 0 1 0 999 V2000 24.0493 -9.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1862 1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3348 -9.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3348 -8.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 -8.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 -7.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -7.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -6.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3296 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1914 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1914 -5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1914 -3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1914 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4769 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7624 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6164 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0480 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3309 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3335 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0454 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4743 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1888 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2842 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3322 -1.3184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4756 -0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5217 -4.8099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4756 -0.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2217 -3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -4.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7612 -1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6177 -0.9059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -3.3809 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.1914 -7.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -0.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 -5.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6151 -2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4769 -4.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 -1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6203 -5.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4769 -3.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9059 -2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7624 -3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0480 -1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6190 -1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9046 -3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0467 -1.7309 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 1 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 2 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 1 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 27 1 0 0 0 0 69 29 1 0 0 0 0 70 33 1 0 0 0 0 71 35 1 0 0 0 0 45 72 1 1 0 0 0 M END > CHEM038945 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=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)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/h11-14,17-20,22,24,27,29,33,35,45H,3-10,15-16,21,23,25-26,28,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11+,14-12+,19-17+,20-18+,24-22+,29-27+,35-33+/t45-/m1/s1 > ZFVFIXFLSUXKOU-MLSOSTCMSA-N > C47H80NO8P > 818.13 > 817.562155538 > 5 > 137 > 95.8924435584454 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11E,14E)-icosa-11,14-dienoyloxy]propoxy]phosphinic acid > 9.04 > 12.36315041247009 > -7.17 > 0 > 0 > 0 > 1.8688003136539155 > 9.999929336362278 > 134.38000000000002 > 244.83010000000007 > 42 > 0 > 5.59e-05 g/l > 2-aminoethoxy((2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(11E,14E)-icosa-11,14-dienoyloxy]propoxy)phosphinic acid > 0 > PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:2(11Z,14Z)) $$$$