TG(16:0/18:1(11Z)/16:0)

Properties Image MNX_ID MNXM146314 reference chebi:171582 formula C53H100O6 global charge 0 mol weight 833.377 InChIKey LKWWUZJKMHPDRD-QOCHGBHMSA-N InChI InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19- SMILES CCCCCC/C=C\CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h19,22,50H,4-18,20-21,23-49H2,1-3H3/b22-19- SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]\[CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54])[CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0