Mrv1572004261614482D 76 75 0 0 1 0 999 V2000 10.3342 -4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3842 4.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0487 -5.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 3.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0487 -6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9552 3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 -6.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9552 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 -6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 -6.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2408 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9065 -6.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9065 -5.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6210 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6210 -4.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9065 -3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3829 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9065 -3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 0.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 -3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0487 -3.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9052 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3954 -4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 -4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 -1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1908 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 -5.3329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1908 -0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6184 -2.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -3.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -4.7289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4763 -1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 -3.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -3.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 -3.9039 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 -5.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 -6.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 -5.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 -7.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 -5.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 1.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3355 -5.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 -0.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 -4.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6210 -2.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 1.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 -3.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3829 -0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7631 -1.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -1.8414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6197 -3.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 -2.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0487 -1.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 -2.2539 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 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 2 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 5 1 0 0 0 0 59 7 1 0 0 0 0 60 11 1 0 0 0 0 61 13 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 32 1 0 0 0 0 73 33 1 0 0 0 0 74 34 1 0 0 0 0 75 35 1 0 0 0 0 45 76 1 1 0 0 0 M END > CHEM039012 > 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])C\C([H])=C(/[H])CCC(=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/C47H76NO8P/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/h5,7,11,13,17-20,22,24,26-29,32-35,45H,3-4,6,8-10,12,14-16,21,23,25,30-31,36-44,48H2,1-2H3,(H,51,52)/b7-5+,13-11+,19-17+,20-18+,24-22+,28-26+,29-27+,34-32-,35-33+/t45-/m1/s1 > DNHRAPOUQPUXON-VCRWAUQQSA-N > C47H76NO8P > 814.098 > 813.530855409 > 5 > 133 > 95.82392646847917 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8E,11E)-icosa-5,8,11-trienoyloxy]propoxy]phosphinic acid > 8.37 > 11.639307099136756 > -7.06 > 0 > 0 > 0 > 1.8688003136537077 > 9.999929336362278 > 134.38000000000002 > 247.06330000000008 > 40 > 0 > 7.11e-05 g/l > 2-aminoethoxy((2R)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(5Z,8E,11E)-icosa-5,8,11-trienoyloxy]propoxy)phosphinic acid > 0 > PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(5Z,8Z,11Z)) $$$$