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BioLiP

PDB CCD ID: VXA
Number of entries in BioLiP: 5
Chemical formula: C H4 O2 P
InChI: InChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)/p-1
InChIKey: BCDIWLCKOCHCIH-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CP(=O)[O-]
CACTVS 3.341C[PH]([O-])=O
ACDLabs 10.04[O-]P(=O)C
OpenEye OEToolkits 1.5.0C[P@H](=O)[O-]
Name:METHYLPHOSPHONIC ACID ESTER GROUP
DrugBank: DB02825
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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