Mrv1572004261614342D 74 73 0 0 1 0 999 V2000 16.5730 -1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5756 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5730 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2874 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2874 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0019 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7177 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0019 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7164 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7164 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0019 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0019 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2874 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5730 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 5.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1440 4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1440 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4296 2.5559 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 13.7151 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2862 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9368 5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 2.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8572 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 6.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8572 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8243 4.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 5.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1427 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1743 4.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 3.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 4.6184 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.2874 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 4.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4309 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2874 3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 3.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7164 5.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5730 3.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 5.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8585 3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7151 3.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7151 1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4283 2.9684 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 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 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 72 33 1 0 0 0 0 73 35 1 0 0 0 0 45 74 1 6 0 0 0 M END > CHEM038947 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=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/C47H78NO8P/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/h11-14,17-20,22,24,26-29,33,35,45H,3-10,15-16,21,23,25,30-32,34,36-44,48H2,1-2H3,(H,51,52)/b13-11+,14-12+,19-17+,20-18+,24-22+,28-26+,29-27+,35-33+/t45-/m1/s1 > JLYBUHKQMMKPMP-VRGYCVFVSA-N > C47H78NO8P > 816.114 > 815.546505474 > 5 > 135 > 94.92001755686584 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy]phosphinic acid > 8.68 > 12.001228755803423 > -7.11 > 0 > 0 > 0 > 1.8688003136539155 > 9.999929336362278 > 134.38000000000002 > 245.94670000000008 > 41 > 0 > 6.33e-05 g/l > 2-aminoethoxy((2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propoxy)phosphinic acid > 0 > PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)) $$$$