1,2-dieicosanoyl-3-(13-methyltetradecanoyl)-sn-glycerol

Properties Image MNX_ID MNXM176737 reference slm:000189197 formula C58H112O6 global charge 0 mol weight 905.528 InChIKey MPGNAHKAGWBCOX-KZRJWCEASA-N InChI InChI=1S/C58H112O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41-45-49-56(59)62-52-55(53-63-57(60)50-46-42-38-35-31-32-36-40-44-48-54(3)4)64-58(61)51-47-43-39-34-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h54-55H,5-53H2,1-4H3/t55-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C58H112O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41-45-49-56(59)62-52-55(53-63-57(60)50-46-42-38-35-31-32-36-40-44-48-54(3)4)64-58(61)51-47-43-39-34-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h54-55H,5-53H2,1-4H3/t55-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][C:56](=[O:59])[O:62][CH2:52][C@H:55]([CH2:53][O:63][C:57]([CH2:50][CH2:46][CH2:42][CH2:38][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH:54]([CH3:3])[CH3:4])=[O:60])[O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:34][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61]

Parent-child relations graph

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