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UU3

Summary
Name:(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione
Synonyms:Dehydroascorbic Acid
DHA
Formula:C6 H6 O6
Formal charge:0
Formula weight:174.108 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione (non-preferred name)
OpenEye OEToolkits1.7.6(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C(=O)OC(C1=O)C(O)CO
InChIInChI1.03InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
InChIKeyInChI1.03SBJKKFFYIZUCET-JLAZNSOCSA-N
SMILES_CANONICALCACTVS3.385OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O
SMILESCACTVS3.385OC[CH](O)[CH]1OC(=O)C(=O)C1=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O
SMILESOpenEye OEToolkits1.7.6C(C(C1C(=O)C(=O)C(=O)O1)O)O

217705

PDB entries from 2024-03-27

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