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BioLiP

PDB CCD ID: JZ7
Number of entries in BioLiP: 1
Chemical formula: C7 H12 O2
InChI: InChI=1S/C7H12O2/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3/t7-/m0/s1
InChIKey: VZJFPIXCMVSTID-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCOC1CCC=CO1
CACTVS 3.352CCO[CH]1CCC=CO1
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCO[C@@H]1CCC=CO1
Name:(2S)-2-ethoxy-3,4-dihydro-2H-pyran
ZINC: ZINC000003875718
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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