1-(5Z,8Z,11Z-eicosatrienoyl)-2-(13Z,16Z-docosadienoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Mrv1652304062001362D 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 20.5732 -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 13.0992 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3851 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6709 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9567 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2426 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5285 -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 15.2913 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5771 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8630 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1489 -8.5577 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 11.6097 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8956 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0705 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3564 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6423 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9281 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4999 -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 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 15.4363 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7222 -7.0358 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 13.1831 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4689 -7.0358 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 10.9297 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2156 -7.0358 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 8.6765 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9623 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4232 -6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 -7.0358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 -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 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 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 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 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 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 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 1 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 > BMDB0105077 > bmdb > [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,33,36,38,41-42,45,47,50,64H,4-6,8-9,11-15,18,21-24,31-32,34-35,37,39-40,43-44,46,48-49,51-63H2,1-3H3/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,36-33-,41-38-,45-42-,50-47-/t64-/m0/s1 > JLRCMZYKOYONFH-NUUGZAGFSA-N > C67H110O6 > 1011.611 > 1010.830241262 > 3 > 183 > 129.40599383569798 > 0 > 0 > 0 > 0 > (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 10.58 > 22.418029757666666 > -8.34 > 0 > 0 > 0 > -6.565907588377769 > 78.9 > 326.0722999999998 > 56 > 0 > 4.58e-06 g/l > (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0105077 > TG(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$