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BioLiP

PDB CCD ID: 7PR
Number of entries in BioLiP: 9
Chemical formula: C6 H9 O6 Pr
InChI: InChI=1S/3C2H4O2.Pr/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
InChIKey: KPXRPRLCONABEG-UHFFFAOYSA-K
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)O[Pr](OC(C)=O)OC(C)=O
OpenEye OEToolkits 2.0.6CC(=O)O[Pr](OC(=O)C)OC(=O)C
ACDLabs 12.01C(=O)(C)O[Pr](OC(C)=O)OC(=O)C
Name:praseodymium triacetate
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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