1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-tetradecanoyl-3-(11-methyldodecanoyl)-sn-glycerol

Properties Image MNX_ID MNXM294642 reference slm:000138832 formula C52H90O6 global charge 0 mol weight 811.286 InChIKey UXCZWBWUCKGHAP-SBKQUQSESA-N InChI InChI=1S/C52H90O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)58-52(55)45-41-37-32-28-25-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24,26,48-49H,5-6,8,10-12,14,16-17,20,23,25,27-47H2,1-4H3/b9-7-,15-13-,19-18-,22-21-,26-24-/t49-/m1/s1 SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H90O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-31-35-39-43-50(53)56-46-49(47-57-51(54)44-40-36-33-29-30-34-38-42-48(3)4)58-52(55)45-41-37-32-28-25-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24,26,48-49H,5-6,8,10-12,14,16-17,20,23,25,27-47H2,1-4H3/b9-7-,15-13-,19-18-,22-21-,26-24-/t49-/m1/s1 SMILES (mnx) [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:26]\[CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][C:50](=[O:53])[O:56][CH2:46][C@H:49]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:33][CH2:29][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:54])[O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:32][CH2:28][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:55]

Parent-child relations graph

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