SEQ2FUN

BioLiP

PDB CCD ID: J0Z
Number of entries in BioLiP: 3
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)OCc1ccccc1
ACDLabs 10.04O=C(OCc1ccccc1)C
Name:benzyl acetate
ChEMBL: CHEMBL1233714
ZINC: ZINC000000157134
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).