1,2-di-(11-methyldodecanoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycerol

Properties Image MNX_ID MNXM174441 reference slm:000135406 formula C51H88O6 global charge 0 mol weight 797.259 InChIKey OZZSTPBHKMCNHC-TYOFKCTGSA-N InChI InChI=1S/C51H88O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31-36-41-49(52)55-44-48(57-51(54)43-38-33-28-23-25-30-35-40-47(4)5)45-56-50(53)42-37-32-27-22-24-29-34-39-46(2)3/h10-11,13-14,16-17,19-20,26,31,46-48H,6-9,12,15,18,21-25,27-30,32-45H2,1-5H3/b11-10-,14-13-,17-16-,20-19-,31-26-/t48-/m0/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C51H88O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31-36-41-49(52)55-44-48(57-51(54)43-38-33-28-23-25-30-35-40-47(4)5)45-56-50(53)42-37-32-27-22-24-29-34-39-46(2)3/h10-11,13-14,16-17,19-20,26,31,46-48H,6-9,12,15,18,21-25,27-30,32-45H2,1-5H3/b11-10-,14-13-,17-16-,20-19-,31-26-/t48-/m0/s1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:26]=[CH:31]\[CH2:36][CH2:41][C:49](=[O:52])[O:55][CH2:44][C@@H:48]([CH2:45][O:56][C:50]([CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH2:24][CH2:29][CH2:34][CH2:39][CH:46]([CH3:2])[CH3:3])=[O:53])[O:57][C:51]([CH2:43][CH2:38][CH2:33][CH2:28][CH2:23][CH2:25][CH2:30][CH2:35][CH2:40][CH:47]([CH3:4])[CH3:5])=[O:54]

Parent-child relations graph

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