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BioLiP

PDB CCD ID: UU3
Number of entries in BioLiP: 1
Chemical formula: C6 H6 O6
InChI: InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
InChIKey: SBJKKFFYIZUCET-JLAZNSOCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH](O)[CH]1OC(=O)C(=O)C1=O
OpenEye OEToolkits 1.7.6C(C(C1C(=O)C(=O)C(=O)O1)O)O
ACDLabs 12.01O=C1C(=O)OC(C1=O)C(O)CO
OpenEye OEToolkits 1.7.6C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O
CACTVS 3.385OC[C@H](O)[C@H]1OC(=O)C(=O)C1=O
Name:(5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione;
Dehydroascorbic Acid;
DHA
DrugBank: DB08830
ZINC: ZINC000001532648
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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