TG(20:3(5Z,8Z,11Z)/16:1(9Z)/O-18:0)

Properties Image MNX_ID MNXM139988 reference hmdb:HMDB0051030 formula C57H104O5 global charge 0 mol weight 869.454 InChIKey BUUOSXNVBINTDM-DIOVRTRQSA-N InChI InChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,38,41,55H,4-20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b24-21-,27-25-,33-30-,41-38-/t55-/m1/s1 SMILES CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C57H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-33-35-38-41-44-47-50-56(58)61-54-55(62-57(59)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h21,24-25,27,30,33,38,41,55H,4-20,22-23,26,28-29,31-32,34-37,39-40,42-54H2,1-3H3/b24-21-,27-25-,33-30-,41-38-/t55-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:33]\[CH2:35]/[CH:38]=[CH:41]\[CH2:44][CH2:47][CH2:50][C:56](=[O:58])[O:61][CH2:54][C@@H:55]([CH2:53][O:60][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:62][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59]

Parent-child relations graph

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