2-dehydro-D-gluconate

Properties Image MNX_ID MNXM582 reference chebi:16808 formula C6H9O7 global charge -1 mol weight 193.131 InChIKey VBUYCZFBVCCYFD-JJYYJPOSSA-M InChI InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/p-1/t2-,3-,4+/m1/s1 SMILES O=C([O-])C(=O)[C@@H](O)[C@H](O)[C@H](O)CO MNX internals InChI (mnx) InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1 SMILES (mnx) [CH2:1]([C@H:2]([C@H:3]([C@@H:4]([C:5]([C:6]([OH:12])=[O:13])=[O:11])[OH:10])[OH:9])[OH:8])[OH:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 23 in models (compartimentalized) 12