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BioLiP

PDB CCD ID: CEJ
Number of entries in BioLiP: 1
Chemical formula: C5 H6 O2
InChI: InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey: LOGSONSNCYTHPS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C1CC(=O)CC1
CACTVS 3.341O=C1CCC(=O)C1
OpenEye OEToolkits 1.5.0C1CC(=O)CC1=O
Name:CYCLOPENTANE-1,3-DIONE
ChEMBL: CHEMBL224233
ZINC: ZINC000003861294
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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