2-octanoyl-3-O-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol

Properties Image MNX_ID MNXM163153 reference chebi:90493 formula C23H42O14 global charge 0 mol weight 542.575 InChIKey UVNIQDKRRGDKJW-JNGHOCHBSA-N InChI InChI=1S/C23H42O14/c1-2-3-4-5-6-7-15(26)35-12(8-24)10-33-22-21(32)19(30)17(28)14(37-22)11-34-23-20(31)18(29)16(27)13(9-25)36-23/h12-14,16-25,27-32H,2-11H2,1H3/t12-,13-,14-,16+,17+,18+,19+,20-,21-,22-,23+/m1/s1 SMILES CCCCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C23H42O14/c1-2-3-4-5-6-7-15(26)35-12(8-24)10-33-22-21(32)19(30)17(28)14(37-22)11-34-23-20(31)18(29)16(27)13(9-25)36-23/h12-14,16-25,27-32H,2-11H2,1H3/t12-,13-,14-,16+,17+,18+,19+,20-,21-,22-,23+/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:15](=[O:26])[O:35][C@H:12]([CH2:8][OH:24])[CH2:10][O:33][C@H:22]1[C@H:21]([OH:32])[C@@H:19]([OH:30])[C@@H:17]([OH:28])[C@@H:14]([CH2:11][O:34][C@@H:23]2[C@H:20]([OH:31])[C@@H:18]([OH:29])[C@@H:16]([OH:27])[C@@H:13]([CH2:9][OH:25])[O:36]2)[O:37]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0