1-(13-methyltetradecanoyl)-2-pentadecanoyl-3-docosanoyl-sn-glycerol

Properties Image MNX_ID MNXM215405 reference slm:000160910 formula C55H106O6 global charge 0 mol weight 863.447 InChIKey JAHVKOBDJCTEDA-MPLRIKRWSA-N InChI InChI=1S/C55H106O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-30-34-38-42-46-53(56)59-49-52(61-55(58)48-44-40-36-31-26-18-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-32-28-29-33-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C55H106O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-30-34-38-42-46-53(56)59-49-52(61-55(58)48-44-40-36-31-26-18-16-14-12-10-8-6-2)50-60-54(57)47-43-39-35-32-28-29-33-37-41-45-51(3)4/h51-52H,5-50H2,1-4H3/t52-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][C:53](=[O:56])[O:59][CH2:49][C@@H:52]([CH2:50][O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:35][CH2:32][CH2:28][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH:51]([CH3:3])[CH3:4])=[O:57])[O:61][C:55]([CH2:48][CH2:44][CH2:40][CH2:36][CH2:31][CH2:26][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:58]

Parent-child relations graph

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