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BioLiP

PDB CCD ID: 1MI
Number of entries in BioLiP: 1
Chemical formula: C5 H12 O3
InChI: InChI=1S/C5H12O3/c6-2-1-5(3-7)4-8/h5-8H,1-4H2
InChIKey: SYNPRNNJJLRHTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCC(CO)CO
OpenEye OEToolkits 2.0.7C(CO)C(CO)CO
Name:2-(hydroxymethyl)butane-1,4-diol
ZINC: ZINC000059495355
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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