FW2

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Summary

Name:L-2-keto-3deoxy-gluconate
Formula:C6 H10 O6
Formal charge:0
Molecular weight:178.14 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(4~{R},5~{S})-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
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+/m1/s1
InChIKeyInChI1.03WPAMZTWLKIDIOP-WUJLRWPWSA-N
SMILES_CANONICALCACTVS3.385OC[C@H](O)[C@H](O)CC(=O)C(O)=O
SMILESCACTVS3.385OC[CH](O)[CH](O)CC(=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6C([C@H]([C@H](CO)O)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits2.0.6C(C(C(CO)O)O)C(=O)C(=O)O