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BioLiP

PDB CCD ID: 65S
Number of entries in BioLiP: 1
Chemical formula: C3 H3 F O3
InChI: InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKey: CXABZTLXNODUTD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C(=O)CF
ACDLabs 12.01OC(=O)C(CF)=O
OpenEye OEToolkits 2.0.4C(C(=O)C(=O)O)F
Name:3-fluoro-2-oxopropanoic acid
ChEMBL: CHEMBL1162543
ZINC: ZINC000001583794
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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