1-dodecanoyl-2-hexadecanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol

Properties Image MNX_ID MNXM109448 reference slm:000144094 formula C53H94O6 global charge 0 mol weight 827.329 InChIKey MXNVSGZRQAPTRK-PTHBIUEKSA-N InChI InChI=1S/C53H94O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-22-20-17-14-11-8-5-2/h16,19,23-24,26-27,30-31,50H,4-15,17-18,20-22,25,28-29,32-49H2,1-3H3/b19-16-,24-23-,27-26-,31-30-/t50-/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C53H94O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-30-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-22-20-17-14-11-8-5-2/h16,19,23-24,26-27,30-31,50H,4-15,17-18,20-22,25,28-29,32-49H2,1-3H3/b19-16-,24-23-,27-26-,31-30-/t50-/m1/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:30]=[CH:31]\[CH2:34][CH2:37][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][CH2:35][CH2:32][CH2:29][CH2:22][CH2:20][CH2:17][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