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BioLiP

PDB CCD ID: XIQ
Number of entries in BioLiP: 0
Chemical formula: C7 H8 O6
InChI: InChI=1S/C7H8O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h8-9,11H,2H2,1H3
InChIKey: GVIOTWHHRIHYQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC1=C(O)OC(=C(O)C1=O)CO
OpenEye OEToolkits 2.0.7COC1=C(OC(=C(C1=O)O)CO)O
Name:2-(hydroxymethyl)-5-methoxy-3,6-bis(oxidanyl)pyran-4-one
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).
  • 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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