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BioLiP Library

PDB CCD ID: YRQ
Number of entries in BioLiP: 4
Chemical formula: C3 H9 O4 P
InChI: InChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKey: AAZGNRIYIVFCOY-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H](CO)P(=O)(O)O
CACTVS 3.385C[C@@H](CO)[P](O)(O)=O
CACTVS 3.385C[CH](CO)[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC(CO)P(=O)(O)O
Name:[(2S)-1-hydroxypropan-2-yl]phosphonic acid
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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