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BioLiP Library

PDB CCD ID: ALU
Number of entries in BioLiP: 6
Chemical formula: C3 H7 O4 P
InChI: InChI=1S/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)
InChIKey: QECABVMKPMRCRZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CO[P](O)(=O)C(C)=O
OpenEye OEToolkits 1.5.0CC(=O)P(=O)(O)OC
OpenEye OEToolkits 1.5.0CC(=O)[P@](=O)(O)OC
CACTVS 3.341CO[P@](O)(=O)C(C)=O
ACDLabs 10.04O=C(C)P(=O)(O)OC
Name:METHYL HYDROGEN (S)-ACETYLPHOSPHONATE
ChEMBL: CHEMBL1230956
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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