(2R)-3-(Octadecyloxy)-2-(tetradecanoyloxy)propyl icosanoate

Properties Image MNX_ID MNXM138196 reference chebi:185447 formula C55H108O5 global charge 0 mol weight 849.464 InChIKey QQSPRUUJMSRQBL-IONAWPRUSA-N InChI InChI=1S/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C55H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-31-34-36-39-42-45-48-54(56)59-52-53(60-55(57)49-46-43-40-37-33-21-18-15-12-9-6-3)51-58-50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:29][CH2:31][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:56])[O:59][CH2:52][C@@H:53]([CH2:51][O:58][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:30][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:60][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:33][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57]

Parent-child relations graph

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