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BioLiP

PDB CCD ID: BUQ
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
InChIKey: LVSQXDHWDCMMRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)CCO
ACDLabs 10.04O=C(C)CCO
Name:4-HYDROXY-2-BUTANONE
DrugBank: DB04094
ZINC: ZINC000001672523
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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