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BioLiP

PDB CCD ID: YW6
Number of entries in BioLiP: 2
Chemical formula: C6 H6 O3
InChI: InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChIKey: UUUYAVXPERPSAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)Cc1cocc1
OpenEye OEToolkits 2.0.7c1cocc1CC(=O)O
Name:2-(furan-3-yl)ethanoic acid
ZINC: ZINC000000334130
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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