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BioLiP

PDB CCD ID: 7VD
Number of entries in BioLiP: 4
Chemical formula: C3 H7 O4 P
InChI: InChI=1S/C3H7O4P/c1-3(4)2-8(5,6)7/h2H2,1H3,(H2,5,6,7)
InChIKey: DVSHXLWNRCEDCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)C[P](O)(O)=O
OpenEye OEToolkits 2.0.6CC(=O)CP(=O)(O)O
ACDLabs 12.01P(O)(CC(C)=O)(O)=O
Name:(2-oxopropyl)phosphonic acid
ZINC: ZINC000001720559
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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