TG(14:0/14:1(9Z)/22:2(13Z,16Z))

Properties Image MNX_ID MNXM110385 reference chebi:170674 formula C53H96O6 global charge 0 mol weight 829.345 InChIKey IXCOGNZYDBTCLG-ZPVWCFDYSA-N InChI InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,50H,4-14,17,20-22,25-49H2,1-3H3/b18-15-,19-16-,24-23-/t50-/m1/s1 SMILES CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C53H96O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-32-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-31-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-20-17-14-11-8-5-2/h15-16,18-19,23-24,50H,4-14,17,20-22,25-49H2,1-3H3/b18-15-,19-16-,24-23-/t50-/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][CH2:26][CH2:27][CH2:28][CH2:29][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:31][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:56]

Parent-child relations graph

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