1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-tetradecanoyl-sn-glycerol

Properties Image MNX_ID MNXM131857 reference slm:000171774 formula C57H100O6 global charge 0 mol weight 881.421 InChIKey GZIFFSTVTIRNHB-BUVYJIJBSA-N InChI InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,42,45,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C57H100O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24,26,28-29,33,36,42,45,54H,4-15,17-18,20-23,25,27,30-32,34-35,37-41,43-44,46-53H2,1-3H3/b19-16-,26-24-,29-28-,36-33-,45-42-/t54-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][C:57](=[O:60])[O:63][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:30][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0