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GLR

Summary
Name:2,3-DIHYDROXY-5-OXO-HEXANEDIOATE
Formula:C6 H6 O7
Formal charge:-2
Formula weight:190.108 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3S)-2,3-dihydroxy-5-oxohexanedioate (non-preferred name)
OpenEye OEToolkits1.5.0(2R,3S)-2,3-dihydroxy-5-oxo-hexanedioate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C([O-])C(O)C(O)CC(=O)C([O-])=O
SMILES_CANONICALCACTVS3.341O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-])=O
SMILESCACTVS3.341O[CH](CC(=O)C([O-])=O)[CH](O)C([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-]
SMILESOpenEye OEToolkits1.5.0C(C(C(C(=O)[O-])O)O)C(=O)C(=O)[O-]
InChIInChI1.03InChI=1S/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1
InChIKeyInChI1.03QUURPCHWPQNNGL-ZAFYKAAXSA-L

227111

数据于2024-11-06公开中

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