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BioLiP

PDB CCD ID: ACN
Number of entries in BioLiP: 20
Chemical formula: C3 H6 O
InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CC(C)=O
ACDLabs 11.02O=C(C)C
OpenEye OEToolkits 1.7.0CC(=O)C
Name:ACETONE
ChEMBL: CHEMBL14253
ZINC: ZINC000000895111
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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