1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Mrv1652304062010352D 74 73 0 0 1 0 999 V2000 24.1443 -6.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1832 -7.0352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2219 -6.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1442 -5.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2606 -7.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4330 -8.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9384 -8.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4298 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4298 -4.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7156 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0015 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2873 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4623 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7482 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0341 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2091 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4949 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7807 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9557 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2416 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5275 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7025 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9883 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2742 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4491 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0209 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3067 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5926 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8785 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7185 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7185 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0044 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2902 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5761 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8620 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1478 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4337 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7196 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8945 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1804 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6412 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9271 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2130 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3880 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6738 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9597 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2455 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5314 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8173 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5462 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5462 -5.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8320 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1179 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4038 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5788 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8646 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1505 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3254 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6113 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8972 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0722 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3581 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6439 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8189 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1047 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3906 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5656 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8515 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1373 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3123 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 1 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 6 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 52 5 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 2 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 M END > BMDB0108750 > bmdb > [H][C@](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C67H102O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-30,33-34,36-37,40-45,50-51,53-54,64H,4-6,8-9,11-15,22-24,31-32,35,38-39,46-49,52,55-63H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,43-40-,44-41-,45-42-,53-50-,54-51-/t64-/m1/s1 > PHCQNWVURSVQHV-SRVGZEFISA-N > C67H102O6 > 1003.547 > 1002.767641004 > 3 > 175 > 123.20842490221105 > 0 > 0 > 0 > 0 > (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.51 > 20.970343131 > -8.05 > 0 > 0 > 0 > -6.568162903569374 > 78.9 > 330.53869999999984 > 52 > 0 > 8.90e-06 g/l > (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0108750 > TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:3n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$