1,2-ditridecanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM109815 reference slm:000127771 formula C47H84O6 global charge 0 mol weight 745.183 InChIKey GMPLQWMBPJILKR-HSFWOAQSSA-N InChI InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-28-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-20-17-14-11-8-5-2/h16,19,23-24,26,29,44H,4-15,17-18,20-22,25,27-28,30-43H2,1-3H3/b19-16-,24-23-,29-26-/t44-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C47H84O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-28-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-20-17-14-11-8-5-2/h16,19,23-24,26,29,44H,4-15,17-18,20-22,25,27-28,30-43H2,1-3H3/b19-16-,24-23-,29-26-/t44-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:29]\[CH2:31][CH2:34][CH2:37][CH2:40][C:46](=[O:49])[O:52][CH2:43][C@@H:44]([CH2:42][O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:48])[O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:28][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:50]

Parent-child relations graph

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