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

Properties Image MNX_ID MNXM346488 reference slm:000153951 formula C54H104O6 global charge 0 mol weight 849.42 InChIKey BHNIEASWSAOZGG-XHIZWQFQSA-N InChI InChI=1S/C54H104O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-30-34-38-42-46-53(56)59-49-51(48-58-52(55)45-41-37-33-29-25-16-14-12-10-8-6-2)60-54(57)47-43-39-35-31-27-28-32-36-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C54H104O6/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-30-34-38-42-46-53(56)59-49-51(48-58-52(55)45-41-37-33-29-25-16-14-12-10-8-6-2)60-54(57)47-43-39-35-31-27-28-32-36-40-44-50(3)4/h50-51H,5-49H2,1-4H3/t51-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][C:53](=[O:56])[O:59][CH2:49][C@H:51]([CH2:48][O:58][C:52]([CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:55])[O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:27][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:57]

Parent-child relations graph

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