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BioLiP

PDB CCD ID: 3RN
Number of entries in BioLiP: 2
Chemical formula: C6 H8 O2
InChI: InChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h2,7H,1,3-4H2
InChIKey: DQTFESRTIZHRRO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C(=CCC1)CO
OpenEye OEToolkits 1.7.2C1CC(=O)C(=C1)CO
CACTVS 3.370OCC1=CCCC1=O
Name:2-(hydroxymethyl)cyclopent-2-en-1-one
ZINC: ZINC000001568570
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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