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BioLiP

PDB CCD ID: U5N
Number of entries in BioLiP: 1
Chemical formula: C5 H6 O2
InChI: InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1
InChIKey: BGLUXFNVVSVEET-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H]1OC(=O)C=C1
OpenEye OEToolkits 2.0.7C[C@@H]1C=CC(=O)O1
CACTVS 3.385C[CH]1OC(=O)C=C1
OpenEye OEToolkits 2.0.7CC1C=CC(=O)O1
Name:(2~{R})-2-methyl-2~{H}-furan-5-one
ZINC: ZINC000001596396
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)(download the PDF file).
  • 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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