1-dodecanoyl-2-heptadecanoyl-3-(13Z,16Z-docosadienoyl)-sn-glycerol

Properties Image MNX_ID MNXM109497 reference slm:000151610 formula C54H100O6 global charge 0 mol weight 845.388 InChIKey HZVMRIHXVWHODO-AZJVGZRGSA-N InChI InChI=1S/C54H100O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-31-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-24-22-20-17-14-11-8-5-2/h16,19,23,25,51H,4-15,17-18,20-22,24,26-50H2,1-3H3/b19-16-,25-23-/t51-/m1/s1 SMILES CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H100O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-31-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-24-22-20-17-14-11-8-5-2/h16,19,23,25,51H,4-15,17-18,20-22,24,26-50H2,1-3H3/b19-16-,25-23-/t51-/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][CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57]

Parent-child relations graph

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