1-pentadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-tetradecanoyl-sn-glycerol

Properties Image MNX_ID MNXM131704 reference slm:000138617 formula C52H90O6 global charge 0 mol weight 811.286 InChIKey MNZOVLOAKLLMAU-UUYRFDKZSA-N InChI InChI=1S/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,34,37,49H,4-6,8-9,11-15,17-18,20-23,26,29-33,35-36,38-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,37-34-/t49-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H90O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,34,37,49H,4-6,8-9,11-15,17-18,20-23,26,29-33,35-36,38-48H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,37-34-/t49-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:31]/[CH:34]=[CH:37]\[CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][C@@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:53])[CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54]

Parent-child relations graph

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