TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))

Properties Image MNX_ID MNXM110936 reference chebi:171186 formula C55H96O6 global charge 0 mol weight 853.367 InChIKey DJBSAGJERMKCDN-KXXMQWMHSA-N InChI InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,33,52H,4-14,17,20-23,26,29-30,32,34-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-31-/t52-/m1/s1 SMILES CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C55H96O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,33,52H,4-14,17,20-23,26,29-30,32,34-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-31-/t52-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:31]=[CH:33]\[CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58]

Parent-child relations graph

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