1-(6Z,9Z,12Z-octadecatrienoyl)-2-(13Z-docosenoyl)-3-tetradecanoyl-sn-glycerol

Properties Image MNX_ID MNXM131771 reference slm:000173281 formula C57H102O6 global charge 0 mol weight 883.437 InChIKey XHMARDUNPRBYKM-QGCRNVCTSA-N InChI InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,35,38,54H,4-16,18-19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b20-17-,26-24-,30-25-,38-35-/t54-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC MNX internals InChI (mnx) InChI=1/C57H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h17,20,24-26,30,35,38,54H,4-16,18-19,21-23,27-29,31-34,36-37,39-53H2,1-3H3/b20-17-,26-24-,30-25-,38-35-/t54-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41]/[CH:38]=[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:59]

Parent-child relations graph

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