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GKR

Summary
Name:D-GLUCARATE
Formula:C6 H8 O8
Formal charge:-2
Formula weight:208.123 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate (non-preferred name)
OpenEye OEToolkits1.5.0(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)C(O)C(O)C(O)C(O)C([O-])=O
SMILES_CANONICALCACTVS3.341O[C@@H]([C@H](O)[C@H](O)C([O-])=O)[C@@H](O)C([O-])=O
SMILESCACTVS3.341O[CH]([CH](O)[CH](O)C([O-])=O)[CH](O)C([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O
InChIInChI1.03InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4+/m0/s1
InChIKeyInChI1.03DSLZVSRJTYRBFB-LLEIAEIESA-L

218500

PDB entries from 2024-04-17

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