1-dodecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol

Properties Image MNX_ID MNXM109621 reference slm:000142121 formula C53H88O6 global charge 0 mol weight 821.281 InChIKey GJJNCWBOWBUBRD-BXOLQKMHSA-N InChI InChI=1S/C53H88O6/c1-4-7-10-13-16-19-21-23-25-26-28-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-30-27-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-29,32,34-35,37,50H,4-15,18,21-22,26,30-31,33,36,38-49H2,1-3H3/b19-16-,20-17-,25-23-,27-24-,29-28-,35-32-,37-34-/t50-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC MNX internals InChI (mnx) InChI=1/C53H88O6/c1-4-7-10-13-16-19-21-23-25-26-28-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-30-27-24-22-20-17-14-11-8-5-2/h16-17,19-20,23-25,27-29,32,34-35,37,50H,4-15,18,21-22,26,30-31,33,36,38-49H2,1-3H3/b19-16-,20-17-,25-23-,27-24-,29-28-,35-32-,37-34-/t50-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:26]/[CH:28]=[CH:29]\[CH2:31]/[CH:34]=[CH:37]\[CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38]/[CH:35]=[CH:32]\[CH2:30]/[CH:27]=[CH:24]\[CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56]

Parent-child relations graph

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