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BioLiP

PDB CCD ID: DW3
Number of entries in BioLiP: 8
Chemical formula: C2 H4 O2
InChI: InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
InChIKey: WGCNASOHLSPBMP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C=O)O
CACTVS 3.385OCC=O
Name:2-oxidanylethanal
ChEMBL: CHEMBL3884509
ZINC: ZINC000008215746
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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