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

Properties Image MNX_ID MNXM136103 reference hmdb:HMDB0049344 formula C59H108O5 global charge 0 mol weight 897.508 InChIKey YEBOXBMRTVYVEC-JVCHJXALSA-N InChI InChI=1S/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,32,35,41,44,57H,4-20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b24-21-,28-25-,35-32-,44-41-/t57-/m1/s1 SMILES CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C59H108O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h21,24-25,28,32,35,41,44,57H,4-20,22-23,26-27,29-31,33-34,36-40,42-43,45-56H2,1-3H3/b24-21-,28-25-,35-32-,44-41-/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:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][CH2:53][C:59](=[O:61])[O:64][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])[CH2:56][O:63][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:60]

Parent-child relations graph

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