1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-octadecyl-sn-glycerol TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/o-18:0) Mrv1652304062012292D 67 66 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 20.5732 -4.9579 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 18.3199 -4.9579 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 16.0666 -4.9579 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 13.8133 -4.9579 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 11.5600 -4.9579 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 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 18.0370 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3228 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6087 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7837 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0695 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3554 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5304 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8162 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1021 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2771 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5629 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8488 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1346 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4205 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7064 -8.1446 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 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 14.1189 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4048 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6907 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9766 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2624 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5483 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8341 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1200 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4058 -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 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 6 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 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 2 0 0 0 0 44 45 1 0 0 0 0 45 46 1 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 50 5 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 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 M END > BMDB0109423 > bmdb > [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C61H102O5/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-60(62)65-58-59(57-64-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)66-61(63)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-26,28-29,33-34,36-37,42-43,45-46,59H,4-6,8-9,11-15,18,21-24,27,30-32,35,38-41,44,47-58H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,36-33-,37-34-,45-42-,46-43-/t59-/m1/s1 > HWJBKYWXJKXGNY-ZFESUOFBSA-N > C61H102O5 > 915.482 > 914.772726384 > 3 > 168 > 118.19960578651254 > 0 > 0 > 0 > 0 > (2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate > 10.86 > 20.493335020333333 > -8.30 > 0 > 0 > 0 > -4.140450507890413 > 61.830000000000005 > 297.5951 > 51 > 0 > 4.64e-06 g/l > (2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(octadecyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate > 0 > BMDB0109423 > TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/O-18:0) $$$$