1-eicosanoyl-2-pentadecanoyl-3-(11-methyldodecanoyl)-sn-glycerol

Properties Image MNX_ID MNXM355801 reference slm:000138004 formula C51H98O6 global charge 0 mol weight 807.339 InChIKey XXOFIJVINFIULC-QSCHNALKSA-N InChI InChI=1S/C51H98O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-26-30-34-38-42-49(52)55-45-48(46-56-50(53)43-39-35-32-28-29-33-37-41-47(3)4)57-51(54)44-40-36-31-27-24-18-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3/t48-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C51H98O6/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-26-30-34-38-42-49(52)55-45-48(46-56-50(53)43-39-35-32-28-29-33-37-41-47(3)4)57-51(54)44-40-36-31-27-24-18-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3/t48-/m1/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][CH2:25][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][C:49](=[O:52])[O:55][CH2:45][C@H:48]([CH2:46][O:56][C:50]([CH2:43][CH2:39][CH2:35][CH2:32][CH2:28][CH2:29][CH2:33][CH2:37][CH2:41][CH:47]([CH3:3])[CH3:4])=[O:53])[O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:31][CH2:27][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:54]

Parent-child relations graph

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