1-pentadecanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-tetradecanoyl-sn-glycerol

Properties Image MNX_ID MNXM131854 reference slm:000148409 formula C54H94O6 global charge 0 mol weight 839.34 InChIKey ZWWTYQLIPVRGSB-NSDWCIHOSA-N InChI InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,39,42,51H,4-15,17-18,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,42-39-/t51-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H94O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-33-36-39-42-45-48-54(57)60-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-23-20-17-14-11-8-5-2/h16,19,24-25,27-28,30,33,39,42,51H,4-15,17-18,20-23,26,29,31-32,34-38,40-41,43-50H2,1-3H3/b19-16-,25-24-,28-27-,33-30-,42-39-/t51-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:33]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45][CH2:48][C:54](=[O:57])[O:60][C@@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55])[CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:23][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