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

Properties Image MNX_ID MNXM346477 reference slm:000142440 formula C52H100O6 global charge 0 mol weight 821.366 InChIKey WHBPBGLOSCCFKB-GGCSAXROSA-N InChI InChI=1S/C52H100O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-28-32-36-40-44-51(54)57-47-49(46-56-50(53)43-39-35-31-26-14-12-10-8-6-2)58-52(55)45-41-37-33-29-25-27-30-34-38-42-48(3)4/h48-49H,5-47H2,1-4H3/t49-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C52H100O6/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-28-32-36-40-44-51(54)57-47-49(46-56-50(53)43-39-35-31-26-14-12-10-8-6-2)58-52(55)45-41-37-33-29-25-27-30-34-38-42-48(3)4/h48-49H,5-47H2,1-4H3/t49-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][C:51](=[O:54])[O:57][CH2:47][C@H:49]([CH2:46][O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:31][CH2:26][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:53])[O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:27][CH2:30][CH2:34][CH2:38][CH2:42][CH:48]([CH3:3])[CH3:4])=[O:55]

Parent-child relations graph

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