1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-octadecyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol TG(22:5(7Z,10Z,13Z,16Z,19Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Mrv1652304062012492D 71 70 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 18.3199 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6058 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8916 -4.9579 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 15.3525 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6383 -4.9579 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 11.5600 -4.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8459 -5.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1317 -4.9579 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 21.0044 -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 12.4347 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7206 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0065 -8.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2923 -8.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5782 -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 17.5788 -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 1 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 2 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 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 1 0 0 0 0 43 44 1 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 49 5 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 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 M END > BMDB0109535 > bmdb > [H][C@](COC(=O)CCCCC\C=C/C\C=C/C\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/C\C=C/CC)OCCCCCCCCCCCCCCCCCC > InChI=1S/C65H106O5/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-43-46-49-52-55-58-64(66)69-61-63(68-60-57-54-51-48-45-42-39-30-27-24-21-18-15-12-9-6-3)62-70-65(67)59-56-53-50-47-44-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-26,28-29,33-36,40-41,43-44,49,52,63H,4-6,9,12-15,18,21-24,27,30-32,37-39,42,45-48,50-51,53-62H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,35-33-,36-34-,43-40-,44-41-,52-49-/t63-/m1/s1 > XPPRNVKNFMZXDO-RTEQVISCSA-N > C65H106O5 > 967.558 > 966.804026513 > 3 > 176 > 123.8437564099302 > 0 > 0 > 0 > 0 > (2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 10.64 > 21.547766366999998 > -8.26 > 0 > 0 > 0 > -4.175915948472608 > 61.830000000000005 > 318.23229999999984 > 53 > 0 > 5.28e-06 g/l > (2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(octadecyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0109535 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$