1,2-dioctadecanoyl-3-(13-methyltetradecanoyl)-sn-glycerol

Properties Image MNX_ID MNXM177091 reference slm:000153936 formula C54H104O6 global charge 0 mol weight 849.42 InChIKey FPKBOZRUXCXISK-NLXJDERGSA-N InChI InChI=1S/C54H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-34-31-27-28-32-36-40-44-50(3)4)60-54(57)47-43-39-35-30-26-24-22-20-18-16-14-12-10-8-6-2/h50-51H,5-49H2,1-4H3/t51-/m1/s1 SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C54H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-52(55)58-48-51(49-59-53(56)46-42-38-34-31-27-28-32-36-40-44-50(3)4)60-54(57)47-43-39-35-30-26-24-22-20-18-16-14-12-10-8-6-2/h50-51H,5-49H2,1-4H3/t51-/m1/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][CH2:48][C@H:51]([CH2:49][O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:31][CH2:27][CH2:28][CH2:32][CH2:36][CH2:40][CH2:44][CH:50]([CH3:3])[CH3:4])=[O:56])[O:60][C:54]([CH2:47][CH2:43][CH2:39][CH2:35][CH2:30][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:57]

Parent-child relations graph

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