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BioLiP

PDB CCD ID: 2EH
Number of entries in BioLiP: 10
Chemical formula: C8 H18 O
InChI: InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKey: YIWUKEYIRIRTPP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCCC[C@H](CC)CO
OpenEye OEToolkits 1.7.0CCCCC(CC)CO
CACTVS 3.352CCCC[CH](CC)CO
Name:(2S)-2-ethylhexan-1-ol
ZINC: ZINC000001529452
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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