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BioLiP

PDB CCD ID: F50
Number of entries in BioLiP: 8
Chemical formula: C2 H4 O3
InChI: InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
InChIKey: KFSLWBXXFJQRDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)OO
ACDLabs 10.04O=C(OO)C
Name:ETHANEPEROXOIC ACID
ChEMBL: CHEMBL444965
DrugBank: DB14556
ZINC: ZINC000038141555
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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