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BioLiP

PDB CCD ID: 8MV
Number of entries in BioLiP: 1
Chemical formula: C8 H8 O4
InChI: InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3
InChIKey: QAVITTVTXPZTSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)OCc1oc(C=O)cc1
OpenEye OEToolkits 2.0.6CC(=O)OCc1ccc(o1)C=O
ACDLabs 12.01C(c1ccc(COC(C)=O)o1)=O
Name:(5-formylfuran-2-yl)methyl acetate
ZINC: ZINC000000047425
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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