1-dodecanoyl-2-docosanoyl-3-eicosanoyl-sn-glycerol

Properties Image MNX_ID MNXM351944 reference slm:000178536 formula C57H110O6 global charge 0 mol weight 891.501 InChIKey XQHVBXJXHRKWIJ-AXAMJWTMSA-N InChI InChI=1S/C57H110O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-32-34-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-31-29-26-24-22-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C57H110O6/c1-4-7-10-13-16-19-21-23-25-27-28-30-32-34-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-31-29-26-24-22-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59]

Parent-child relations graph

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