1-(15Z-tetracosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Mrv1652304062004072D 78 77 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 19.8591 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1450 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4308 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7167 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0025 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2884 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5742 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8601 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1460 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4318 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6068 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8927 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1785 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4644 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7502 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0361 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3220 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6079 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 -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 18.7511 -8.1446 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 16.4978 -8.1446 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 14.2445 -8.1446 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 11.9912 -8.1446 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 9.7379 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0238 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3096 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7705 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0563 -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 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 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 2 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 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 33 6 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 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 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 56 5 1 0 0 0 0 56 57 2 0 0 0 0 56 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 2 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 2 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 2 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 M END > BMDB0106162 > bmdb > [H][C@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h8-9,11-12,17-18,20-21,25-30,36-37,39,41,45,47-48,50,56,59,68H,4-7,10,13-16,19,22-24,31-35,38,40,42-44,46,49,51-55,57-58,60-67H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-37-,48-45-,50-47-,59-56-/t68-/m1/s1 > VHWRAFCCARCRSA-CSBCSDSYSA-N > C71H114O6 > 1063.687 > 1062.861541391 > 3 > 191 > 135.92515814461186 > 0 > 0 > 0 > 0 > (2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate > 10.43 > 23.47246110433333 > -8.29 > 0 > 0 > 0 > -6.5669801079791075 > 78.9 > 346.7094999999998 > 58 > 0 > 5.52e-06 g/l > (2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (15Z)-tetracos-15-enoate > 0 > BMDB0106162 > TG(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$