keto-L-sorbose

Properties Image MNX_ID MNXM59041 reference chebi:13172 formula C6H12O6 global charge 0 mol weight 180.156 InChIKey BJHIKXHVCXFQLS-OTWZMJIISA-N InChI InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 SMILES O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)CO MNX internals InChI (mnx) InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m0/s1 SMILES (mnx) [CH2:1]([C@@H:3]([C@H:5]([C@@H:6]([C:4]([CH2:2][OH:8])=[O:10])[OH:12])[OH:11])[OH:9])[OH:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 2