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BioLiP

PDB CCD ID: KSW
Number of entries in BioLiP: 3
Chemical formula: C6 H6 O
InChI: InChI=1S/C6H6O/c1-5-3-2-4-6(5)7/h2-4H,1H3
InChIKey: LYYZLRGLZHSYLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC1=CC=CC1=O
Name:2-methylcyclopenta-2,4-dien-1-one
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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