Mrv1572004261611312D 83 82 0 0 1 0 999 V2000 18.8358 -6.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 -2.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8352 -7.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 -6.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8848 -8.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2122 -6.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3681 -5.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 -1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7444 -4.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9003 -4.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2767 -3.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4326 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8090 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0294 -2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 1.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4058 -1.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9329 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6262 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0026 -1.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3361 1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1585 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5349 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8039 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7553 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1317 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8684 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3521 -0.2531 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 11.1962 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3361 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4166 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1157 -2.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 -2.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8844 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5189 -2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3447 -6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5345 -6.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3253 -3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3898 -4.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5457 -3.4936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7285 -3.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1425 -3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6147 -7.2549 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.3521 -4.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9866 -4.0337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6442 -5.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2984 -6.1941 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.9489 -3.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2645 -5.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 -4.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9221 -2.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4543 -5.3839 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -1.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 -0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4971 -3.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 1.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2122 -2.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 0.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8735 -3.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4652 2.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5617 -1.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 0.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2230 -1.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1157 1.3672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9380 -0.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 0.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5994 -1.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 -1.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2876 0.8271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 -0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8198 -1.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 -0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1694 -4.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 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 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 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 2 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 47 46 1 0 0 0 0 50 48 1 0 0 0 0 50 49 1 0 0 0 0 51 44 1 0 0 0 0 52 45 1 0 0 0 0 53 3 1 0 0 0 0 53 4 1 0 0 0 0 53 5 1 0 0 0 0 53 46 1 0 0 0 0 54 51 2 0 0 0 0 55 52 2 0 0 0 0 58 48 1 0 0 0 0 58 51 1 0 0 0 0 59 47 1 0 0 0 0 60 49 1 0 0 0 0 50 61 1 1 0 0 0 61 52 1 0 0 0 0 62 56 2 0 0 0 0 62 57 1 0 0 0 0 62 59 1 0 0 0 0 62 60 1 0 0 0 0 63 9 1 0 0 0 0 64 11 1 0 0 0 0 65 14 1 0 0 0 0 66 15 1 0 0 0 0 67 16 1 0 0 0 0 68 17 1 0 0 0 0 69 20 1 0 0 0 0 70 21 1 0 0 0 0 71 22 1 0 0 0 0 72 23 1 0 0 0 0 73 26 1 0 0 0 0 74 27 1 0 0 0 0 75 28 1 0 0 0 0 76 29 1 0 0 0 0 77 32 1 0 0 0 0 78 33 1 0 0 0 0 79 34 1 0 0 0 0 80 35 1 0 0 0 0 81 38 1 0 0 0 0 82 40 1 0 0 0 0 50 83 1 1 0 0 0 M CHG 2 53 1 57 -1 M END > CHEM038001 > 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])CCCCCC(=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)OCC[N+](C)(C)C > InChI=1S/C52H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,26-29,32-35,38,40,50H,6-8,10,12-13,18-19,24-25,30-31,36-37,39,41-49H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,23-21+,28-26+,29-27+,34-32+,35-33+,40-38+/t50-/m1/s1 > JSESVUQDNBJLJQ-UTTHGONTSA-N > C52H84NO8P > 882.217 > 881.593455667 > 4 > 146 > 103.31015895142536 > 0 > 0 > 0 > 0 > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.85 > 9.829403792528257 > -7.42 > 0 > 0 > 0 > 1.8550572064425017 > -6.745888118476217 > 111.19000000000001 > 282.24309999999997 > 42 > 0 > 3.54e-05 g/l > (2-{[(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$