1-dodecanoyl-2-(11Z,14Z-eicosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

Properties Image MNX_ID MNXM109735 reference slm:000167300 formula C57H94O6 global charge 0 mol weight 875.373 InChIKey PPVJOOMQVQFSLE-NLRQFEGWSA-N InChI InChI=1S/C57H94O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-34-32-29-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,28,30,33,35,41,44,54H,4-6,8-9,11-15,18,21-22,27,29,31-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,25-23-,26-24-,30-28-,35-33-,44-41-/t54-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C57H94O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-34-32-29-26-24-22-20-17-14-11-8-5-2/h7,10,16-17,19-20,23-26,28,30,33,35,41,44,54H,4-6,8-9,11-15,18,21-22,27,29,31-32,34,36-40,42-43,45-53H2,1-3H3/b10-7-,19-16-,20-17-,25-23-,26-24-,30-28-,35-33-,44-41-/t54-/m1/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:28]=[CH:30]\[CH2:31]/[CH:33]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:34][CH2:32][CH2:29]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60]

Parent-child relations graph

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