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BioLiP

PDB CCD ID: VX
Number of entries in BioLiP: 31
Chemical formula: C3 H9 O3 P
InChI: InChI=1S/C3H9O3P/c1-3-6-7(2,4)5/h3H2,1-2H3,(H,4,5)
InChIKey: UFZOPKFMKMAWLU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCO[P@](=O)(C)O
CACTVS 3.341CCO[P](C)(O)=O
CACTVS 3.341CCO[P@](C)(O)=O
OpenEye OEToolkits 1.5.0CCOP(=O)(C)O
ACDLabs 10.04O=P(O)(OCC)C
Name:O-ETHYLMETHYLPHOSPHONIC ACID ESTER GROUP
ZINC: ZINC000002557021
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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