1-docosanoyl-2-heptadecanoyl-3-(15-methylhexadecanoyl)-sn-glycerol

Properties Image MNX_ID MNXM348695 reference slm:000198541 formula C59H114O6 global charge 0 mol weight 919.555 InChIKey TXGOLHSTPHIPPM-LXXIDKMWSA-N InChI InChI=1S/C59H114O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-27-30-34-38-42-46-50-57(60)63-53-56(65-59(62)52-48-44-40-36-31-26-20-18-16-14-12-10-8-6-2)54-64-58(61)51-47-43-39-35-32-28-29-33-37-41-45-49-55(3)4/h55-56H,5-54H2,1-4H3/t56-/m1/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C59H114O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-27-30-34-38-42-46-50-57(60)63-53-56(65-59(62)52-48-44-40-36-31-26-20-18-16-14-12-10-8-6-2)54-64-58(61)51-47-43-39-35-32-28-29-33-37-41-45-49-55(3)4/h55-56H,5-54H2,1-4H3/t56-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][C:57](=[O:60])[O:63][CH2:53][C@H:56]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:32][CH2:28][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH:55]([CH3:3])[CH3:4])=[O:61])[O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:31][CH2:26][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:62]

Parent-child relations graph

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