1-(11E-octadecenoyl)-2-octadecanoyl-3-(15-methylhexadecanoyl)-sn-glycerol

Properties Image MNX_ID MNXM192714 reference slm:000168226 formula C56H106O6 global charge 0 mol weight 875.458 InChIKey TZSQGYVCZNTNST-XZRQLHSKSA-N InChI InChI=1S/C56H106O6/c1-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-36-32-29-25-26-30-34-38-42-46-52(3)4)62-56(59)49-45-41-37-33-28-24-22-20-18-16-14-12-10-8-6-2/h15,17,52-53H,5-14,16,18-51H2,1-4H3/b17-15+/t53-/m1/s1 SMILES CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C56H106O6/c1-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-47-54(57)60-50-53(51-61-55(58)48-44-40-36-32-29-25-26-30-34-38-42-46-52(3)4)62-56(59)49-45-41-37-33-28-24-22-20-18-16-14-12-10-8-6-2/h15,17,52-53H,5-14,16,18-51H2,1-4H3/b17-15+/t53-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]/[CH2:19][CH2:21][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][C:54](=[O:57])[O:60][CH2:50][C@H:53]([CH2:51][O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:36][CH2:32][CH2:29][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH:52]([CH3:3])[CH3:4])=[O:58])[O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:28][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:59]

Parent-child relations graph

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