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

Properties Image MNX_ID MNXM140042 reference hmdb:HMDB0051066 formula C59H108O5 global charge 0 mol weight 897.508 InChIKey JJHWOJZPZKQYIS-VQKRSOTNSA-N InChI InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,34,40,43,57H,4-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b28-25-,31-27-,34-32-,43-40-/t57-/m1/s1 SMILES CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,27-28,31-32,34,40,43,57H,4-24,26,29-30,33,35-39,41-42,44-56H2,1-3H3/b28-25-,31-27-,34-32-,43-40-/t57-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46][CH2:49][CH2:52][C:58](=[O:60])[O:63][CH2:56][C@@H:57]([CH2:55][O:62][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:64][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:31]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61]

Parent-child relations graph

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