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BioLiP

PDB CCD ID: BA9
Number of entries in BioLiP: 1
Chemical formula: C3 H8 O2
InChI: InChI=1S/C3H8O2/c1-3(2,4)5/h4-5H,1-2H3
InChIKey: CIBMHJPPKCXONB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(C)(O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(C)(O)O
Name:propane-2,2-diol
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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