1-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-2-(9Z-tetradecenoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) Mrv1652304062010192D 64 63 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 16.0054 -8.5577 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 13.7521 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0380 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3239 -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 17.6897 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9755 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2614 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5472 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8331 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0081 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2939 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5798 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7548 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0406 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5015 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0732 -6.6227 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 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 46 5 1 0 0 0 0 46 47 2 0 0 0 0 46 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 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > BMDB0108657 > bmdb > [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC > InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-26,28-30,33,36,41,44,54H,4-7,9-10,12-14,21-23,27,31-32,34-35,37-40,42-43,45-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,44-41-/t54-/m1/s1 > FJZLLIACVSHWSI-FHEZECBNSA-N > C57H92O6 > 873.357 > 872.689390682 > 3 > 155 > 109.26409206458894 > 0 > 0 > 0 > 0 > (2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 10.05 > 18.334264764333334 > -8.24 > 0 > 0 > 0 > -6.567013928598514 > 78.9 > 278.9457 > 47 > 0 > 5.07e-06 g/l > (2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 0 > BMDB0108657 > TG(22:5(4Z,7Z,10Z,13Z,16Z)/14:1(9Z)/18:3(9Z,12Z,15Z)) $$$$