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

Properties Image MNX_ID MNXM109978 reference slm:000147708 formula C54H92O6 global charge 0 mol weight 837.324 InChIKey XBVYNHVBDPTURX-VTEZRKJGSA-N InChI InChI=1S/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31-32,38,41,51H,4-6,8-9,11-15,17-18,20-23,26,29-30,33-37,39-40,42-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,32-31-,41-38-/t51-/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)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H92O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,27-28,31-32,38,41,51H,4-6,8-9,11-15,17-18,20-23,26,29-30,33-37,39-40,42-50H2,1-3H3/b10-7-,19-16-,25-24-,28-27-,32-31-,41-38-/t51-/m1/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]\[CH2:29]/[CH:31]=[CH:32]\[CH2:35]/[CH:38]=[CH:41]\[CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@@H:51]([CH2:49][O:58][C:52]([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:55])[O:60][C:54]([CH2:48][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:57]

Parent-child relations graph

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