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BioLiP Library

PDB CCD ID: 7F2
Number of entries in BioLiP: 12
Chemical formula: C8 H18 O2
InChI: InChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3/t8-/m1/s1
InChIKey: AEIJTFQOBWATKX-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCC[CH](O)CO
CACTVS 3.385CCCCCC[C@@H](O)CO
ACDLabs 12.01
OpenEye OEToolkits 2.0.6		CCCCCCC(CO)O
OpenEye OEToolkits 2.0.6CCCCCC[C@H](CO)O
Name:(2R)-octane-1,2-diol
ZINC: ZINC000001696956
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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