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

Properties Image MNX_ID MNXM133405 reference slm:000162606 formula C56H98O6 global charge 0 mol weight 867.394 InChIKey XKSWGAFXYBUVNV-MSAOHRCTSA-N InChI InChI=1S/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,41,44,53H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-,44-41-/t53-/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)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C56H98O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19,25-26,28-29,32,35,41,44,53H,4-15,17-18,20-24,27,30-31,33-34,36-40,42-43,45-52H2,1-3H3/b19-16-,26-25-,29-28-,35-32-,44-41-/t53-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30]/[CH:32]=[CH:35]\[CH2:38]/[CH:41]=[CH:44]\[CH2:47][CH2:50][C:56](=[O:59])[O:62][C@@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57])[CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58]

Parent-child relations graph

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