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BioLiP

PDB CCD ID: YVR
Number of entries in BioLiP: 4
Chemical formula: C5 H8 O2
InChI: InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1
InChIKey: GAEKPEKOJKCEMS-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1CCC(=O)O1
CACTVS 3.385
OpenEye OEToolkits 2.0.6		C[C@H]1CCC(=O)O1
OpenEye OEToolkits 2.0.6CC1CCC(=O)O1
Name:gamma-Valerolactone
ZINC: ZINC000003860819
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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