2UF

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Summary

Name:L-gulonate
Formula:C6 H12 O7
Formal charge:0
Molecular weight:196.155 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01L-gulonic acid
OpenEye OEToolkits1.9.2(2S,3S,4R,5S)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(O)C(O)C(O)C(O)CO
InChIInChI1.03InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1
InChIKeyInChI1.03RGHNJXZEOKUKBD-QTBDOELSSA-N
SMILES_CANONICALCACTVS3.385OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
SMILESCACTVS3.385OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O
SMILESOpenEye OEToolkits1.9.2C(C(C(C(C(C(=O)O)O)O)O)O)O
171588
PDB entries from 2020-11-25