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

Properties Image MNX_ID MNXM109864 reference slm:000138305 formula C52H88O6 global charge 0 mol weight 809.27 InChIKey UXWHZQXWGKQOSX-AEPCRGQGSA-N InChI InChI=1S/C52H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29,31,36,39,49H,4-6,8-9,11-15,17-18,20-22,25,28,30,32-35,37-38,40-48H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,31-29-,39-36-/t49-/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)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H88O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-31-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-30-20-17-14-11-8-5-2/h7,10,16,19,23-24,26-27,29,31,36,39,49H,4-6,8-9,11-15,17-18,20-22,25,28,30,32-35,37-38,40-48H2,1-3H3/b10-7-,19-16-,24-23-,27-26-,31-29-,39-36-/t49-/m1/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:31]\[CH2:33]/[CH:36]=[CH:39]\[CH2:42][CH2:45][C:51](=[O:54])[O:57][CH2:48][C@@H:49]([CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:53])[O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55]

Parent-child relations graph

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