1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-3-(9Z-tetradecenoyl)-sn-glycerol

Properties Image MNX_ID MNXM132464 reference slm:000181485 formula C59H92O6 global charge 0 mol weight 897.379 InChIKey BJAMSMUIYHUDMP-GXLVWMGESA-N InChI InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC MNX internals InChI (mnx) InChI=1/C59H92O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,29,31,33-35,37,43,46,56H,4-6,9,12-14,21-23,28,30,32,36,38-42,44-45,47-55H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,31-29-,35-33-,37-34-,46-43-/t56-/m0/s1 SMILES (mnx) [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:29]=[CH:31]\[CH2:32]/[CH:34]=[CH:37]\[CH2:40]/[CH:43]=[CH:46]\[CH2:49][CH2:52][C:58](=[O:61])[O:64][CH2:55][C@H:56]([CH2:54][O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:60])[O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:33]\[CH2:30]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:62]

Parent-child relations graph

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