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BioLiP

PDB CCD ID: P18
Number of entries in BioLiP: 1
Chemical formula: C9 H10 O2
InChI: InChI=1S/C9H10O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey: PQCFUZMQHVIOSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)C(=O)CCO
ACDLabs 12.01O=C(c1ccccc1)CCO
CACTVS 3.385OCCC(=O)c1ccccc1
Name:3-hydroxy-1-phenylpropan-1-one
ZINC: ZINC000016887440
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).
  • 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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