1-eicosanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-hexadecanoyl-sn-glycerol

Properties Image MNX_ID MNXM133856 reference slm:000173124 formula C57H102O6 global charge 0 mol weight 883.437 InChIKey PDFFYHNLAKMFAW-DBLJNIQDSA-N InChI InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,29-26-,39-36-/t54-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,36,39,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-35,37-38,40-53H2,1-3H3/b11-8-,20-17-,29-26-,39-36-/t54-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:35][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][CH2:37][CH2:34][CH2:31][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:60]

Parent-child relations graph

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