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BioLiP

PDB CCD ID: 2FU
Number of entries in BioLiP: 3
Chemical formula: C4 H4 O2
InChI: InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+
InChIKey: JGEMYUOFGVHXKV-OWOJBTEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=CC=CC=O
OpenEye OEToolkits 1.5.0C(=CC=O)C=O
ACDLabs 10.04
CACTVS 3.341		O=C\C=C\C=O
Name:BUT-2-ENEDIAL
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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