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BioLiP

PDB CCD ID: NZ5
Number of entries in BioLiP: 3
Chemical formula: C4 H10 O2
InChI: InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKey: BMRWNKZVCUKKSR-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[C@H](CO)O
CACTVS 3.385CC[CH](O)CO
CACTVS 3.385CC[C@@H](O)CO
OpenEye OEToolkits 2.0.7CCC(CO)O
Name:(2~{R})-butane-1,2-diol
ZINC: ZINC000002034660
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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