SEQ2FUN

BioLiP

PDB CCD ID: 6O5
Number of entries in BioLiP: 1
Chemical formula: C7 H8 O3
InChI: InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
InChIKey: XLTJXJJMUFDQEZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(oc1)CCC(=O)O
ACDLabs 12.01c1c(occ1)CCC(O)=O
CACTVS 3.385OC(=O)CCc1occc1
Name:3-(furan-2-yl)propanoic acid;
MB605
ZINC: ZINC000000152318
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).