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BioLiP

PDB CCD ID: MFW
Number of entries in BioLiP: 2
Chemical formula: C5 H8 O
InChI: InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
InChIKey: BGTOWKSIORTVQH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CCC(=O)C1
ACDLabs 12.01
CACTVS 3.370		O=C1CCCC1
Name:cyclopentanone
ChEMBL: CHEMBL18620
ZINC: ZINC000000895304
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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