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BioLiP

PDB CCD ID: KOP
Number of entries in BioLiP: 1
Chemical formula: C H5 O4 P
InChI: InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChIKey: CAAULPUQFIIOTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0COP(=O)(O)O
CACTVS 3.370CO[P](O)(O)=O
ACDLabs 12.01O=P(OC)(O)O
Name:methyl dihydrogen phosphate
ChEMBL: CHEMBL344340
ZINC: ZINC000043919916
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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