SEQ2FUN

BioLiP

PDB CCD ID: 3HP
Number of entries in BioLiP: 10
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
InChIKey: FVMDYYGIDFPZAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)Cc1cc(O)ccc1
CACTVS 3.341OC(=O)Cc1cccc(O)c1
OpenEye OEToolkits 1.5.0c1cc(cc(c1)O)CC(=O)O
Name:3-HYDROXYPHENYLACETATE
ChEMBL: CHEMBL190035
ZINC: ZINC000000395673
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).