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BioLiP Library

PDB CCD ID: UXR
Number of entries in BioLiP: 4
Chemical formula: C3 H7 O5 P
InChI: InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1
InChIKey: GUXRZQZCNOHHDO-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](C(O)=O)[P](O)(O)=O
CACTVS 3.385C[C@@H](C(O)=O)[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)O)P(=O)(O)O
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)O)P(=O)(O)O
ACDLabs 12.01O=C(O)C(C)P(=O)(O)O
Name:(2S)-2-phosphonopropanoic acid
ZINC: ZINC000002008859
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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