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BioLiP

PDB CCD ID: TB6
Number of entries in BioLiP: 10
Chemical formula: C3 H9 O4 P
InChI: InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m1/s1
InChIKey: ZFVCONUOLQASEW-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C[C@H](CP(=O)(O)O)O
CACTVS 3.370C[CH](O)C[P](O)(O)=O
OpenEye OEToolkits 1.7.2CC(CP(=O)(O)O)O
CACTVS 3.370C[C@@H](O)C[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)CC(O)C
Name:[(2R)-2-hydroxypropyl]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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