1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9Z-tetradecenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

Properties Image MNX_ID MNXM137410 reference slm:000167228 formula C57H94O6 global charge 0 mol weight 875.373 InChIKey XLRJYKLFISHMKJ-JJPFMVOPSA-N InChI InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-37,54H,4-14,21-23,27,31-32,34,38-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-/t54-/m0/s1 SMILES CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C57H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,35-37,54H,4-14,21-23,27,31-32,34,38-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-,37-35-/t54-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31]/[CH:33]=[CH:36]\[CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40]/[CH:37]=[CH:35]\[CH2:32]/[CH:30]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:34][CH2:21]/[CH:18]=[CH: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