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BioLiP

PDB CCD ID: QY9
Number of entries in BioLiP: 8
Chemical formula: C8 H8 O2
InChI: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKey: IPBVNPXQWQGGJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Oc1ccccc1)C
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CC(=O)Oc1ccccc1
Name:phenyl acetate
ChEMBL: CHEMBL289559
ZINC: ZINC000000388064
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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