1-(13-methyltetradecanoyl)-2-tridecanoyl-3-octadecanoyl-sn-glycerol

Properties Image MNX_ID MNXM215685 reference slm:000132067 formula C49H94O6 global charge 0 mol weight 779.285 InChIKey MXMJJZAMCKHESR-DXQCBLCSSA-N InChI InChI=1S/C49H94O6/c1-5-7-9-11-13-15-17-18-19-20-21-25-28-32-36-40-47(50)53-43-46(55-49(52)42-38-34-30-24-16-14-12-10-8-6-2)44-54-48(51)41-37-33-29-26-22-23-27-31-35-39-45(3)4/h45-46H,5-44H2,1-4H3/t46-/m0/s1 SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C49H94O6/c1-5-7-9-11-13-15-17-18-19-20-21-25-28-32-36-40-47(50)53-43-46(55-49(52)42-38-34-30-24-16-14-12-10-8-6-2)44-54-48(51)41-37-33-29-26-22-23-27-31-35-39-45(3)4/h45-46H,5-44H2,1-4H3/t46-/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][CH2:25][CH2:28][CH2:32][CH2:36][CH2:40][C:47](=[O:50])[O:53][CH2:43][C@@H:46]([CH2:44][O:54][C:48]([CH2:41][CH2:37][CH2:33][CH2:29][CH2:26][CH2:22][CH2:23][CH2:27][CH2:31][CH2:35][CH2:39][CH:45]([CH3:3])[CH3:4])=[O:51])[O:55][C:49]([CH2:42][CH2:38][CH2:34][CH2:30][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:52]

Parent-child relations graph

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