Mrv1572004261613592D 72 71 0 0 1 0 999 V2000 -9.4283 3.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2914 -4.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1427 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5769 -3.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1427 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5769 -2.8066 0.0000 C 0 0 0 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 9.8624 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8572 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1427 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1480 -1.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1427 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1480 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4283 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4335 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9993 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0046 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2849 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2901 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2849 0.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 0.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5704 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 0.9059 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 4.8612 1.3184 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 4.8612 2.1434 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 4.1467 2.5559 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 3.4322 2.1434 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 2.7177 2.5559 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 2.0033 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4882 5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 5.3329 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 -0.1401 3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1401 2.5559 0.0000 C 0 0 2 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 1.2888 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9007 6.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 3.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3993 4.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 5.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2507 4.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 3.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 4.6184 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.4283 2.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5717 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4283 1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8572 -0.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7138 0.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 -1.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9993 -1.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0046 0.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9993 1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 -0.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8559 0.9059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2901 1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8559 3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 2.5559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1414 1.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1467 3.3809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8546 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 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 1 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 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 2 0 0 0 0 32 30 2 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 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 13 1 0 0 0 0 60 17 1 0 0 0 0 61 18 1 0 0 0 0 62 19 1 0 0 0 0 63 20 1 0 0 0 0 64 23 1 0 0 0 0 65 24 1 0 0 0 0 66 25 1 0 0 0 0 67 26 1 0 0 0 0 68 29 1 0 0 0 0 69 30 1 0 0 0 0 70 31 1 0 0 0 0 71 32 1 0 0 0 0 43 72 1 1 0 0 0 M END > CHEM038783 > 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])CCCC(=O)OC[C@]([H])(COP(O)(=O)OCCN)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC > InChI=1S/C45H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23-26,29-32,43H,3-4,6,8-10,12,14-16,21-22,27-28,33-42,46H2,1-2H3,(H,49,50)/b7-5+,13-11+,19-17+,20-18+,25-23+,26-24+,31-29+,32-30-/t43-/m1/s1 > XZCIYVSAHYFRHF-VZLDBGPYSA-N > C45H74NO8P > 788.06 > 787.515205345 > 5 > 129 > 92.55643559786706 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(5Z,8E,11E)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid > 8.32 > 11.112091425803424 > -6.98 > 0 > 0 > 0 > 1.8688003136578408 > 9.999929336362278 > 134.38000000000002 > 236.74470000000008 > 39 > 0 > 8.22e-05 g/l > 2-aminoethoxy((2R)-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(5Z,8E,11E)-icosa-5,8,11-trienoyloxy]propoxy)phosphinic acid > 0 > PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) $$$$