SEQ2FUN

BioLiP

PDB CCD ID: 2K1
Number of entries in BioLiP: 1
Chemical formula: C6 H6 O3
InChI: InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey: OVOCLWJUABOAPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1oc(cc1)C
OpenEye OEToolkits 1.7.6Cc1ccc(o1)C(=O)O
CACTVS 3.385Cc1oc(cc1)C(O)=O
Name:5-methylfuran-2-carboxylic acid
ChEMBL: CHEMBL3183624
ZINC: ZINC000000062699
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).