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KDG

Summary
Name:2-KETO-3-DEOXYGLUCONATE
Formula:C6 H10 O6
Formal charge:0
Formula weight:178.14 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-deoxy-D-erythro-hex-2-ulosonic acid
OpenEye OEToolkits1.5.0(4S,5R)-4,5,6-trihydroxy-2-oxo-hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C(=O)O)CC(O)C(O)CO
SMILES_CANONICALCACTVS3.341OC[C@@H](O)[C@@H](O)CC(=O)C(O)=O
SMILESCACTVS3.341OC[CH](O)[CH](O)CC(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(CO)O)O)C(=O)C(=O)O
InChIInChI1.03InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5+/m0/s1
InChIKeyInChI1.03WPAMZTWLKIDIOP-WVZVXSGGSA-N

217705

PDB entries from 2024-03-27

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