TG(14:0/14:0/14:1(9Z))

Properties Image MNX_ID MNXM110330 reference chebi:180718 formula C45H84O6 global charge 0 mol weight 721.161 InChIKey DOEBPNOTMREOMP-SISVDLPNSA-N InChI InChI=1S/C45H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,42H,4-12,14-15,17-41H2,1-3H3/b16-13-/t42-/m0/s1 SMILES CCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C45H84O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h13,16,42H,4-12,14-15,17-41H2,1-3H3/b16-13-/t42-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10]/[CH:13]=[CH:16]\[CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:43](=[O:46])[O:49][CH2:40][C@@H:42]([CH2:41][O:50][C:44]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:47])[O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:48]

Parent-child relations graph

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