1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2,3-ditetradecanoyl-sn-glycerol

Properties Image MNX_ID MNXM131158 reference slm:000142877 formula C53H90O6 global charge 0 mol weight 823.297 InChIKey KXXFBJAYKBTONN-NKFKPASUSA-N InChI InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-,40-37-/t50-/m0/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)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C53H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29,32,37,40,50H,4-6,8-9,11-15,17-18,20-22,25,28,30-31,33-36,38-39,41-49H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,32-29-,40-37-/t50-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:32]\[CH2:34]/[CH:37]=[CH:40]\[CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:31][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56]

Parent-child relations graph

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