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BioLiP

PDB CCD ID: KOJ
Number of entries in BioLiP: 16
Chemical formula: C6 H6 O4
InChI: InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
InChIKey: BEJNERDRQOWKJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCC1=CC(=O)C(=CO1)O
OpenEye OEToolkits 1.5.0C1=C(OC=C(C1=O)O)CO
ACDLabs 10.04O=C1C=C(OC=C1O)CO
Name:5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
ChEMBL: CHEMBL287556
DrugBank: DB01759
ZINC: ZINC000013831818
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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