1,3-di-(9Z,12Z,15Z-octadecatrienoyl)-2-(13-methyltetradecanoyl)-sn-glycerol

Properties Image MNX_ID MNXM178513 reference slm:000147975 formula C54H92O6 global charge 0 mol weight 837.324 InChIKey KUNPFMGRTXGKTA-HKTUAWPASA-N InChI InChI=1S/C54H92O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-31-27-28-32-36-40-44-50(3)4)49-59-53(56)46-42-38-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,50-51H,5-6,11-12,17-18,23-49H2,1-4H3/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20- SMILES CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C54H92O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-52(55)58-48-51(60-54(57)47-43-39-35-31-27-28-32-36-40-44-50(3)4)49-59-53(56)46-42-38-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h7-10,13-16,19-22,50-51H,5-6,11-12,17-18,23-49H2,1-4H3/b9-7-,10-8-,15-13-,16-14-,21-19-,22-20- SMILES (mnx) [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][CH2:48][CH:51]([CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:56])[O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:57]

Parent-child relations graph

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