BioLiP

PDB

BioLiP

PDB CCD ID:

2EH

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.352 OpenEye OEToolkits 1.7.0	CCCC[C@H](CC)CO
OpenEye OEToolkits 1.7.0	CCCCC(CC)CO
CACTVS 3.352	CCCC[CH](CC)CO

Name:

(2S)-2-ethylhexan-1-ol

ZINC:

ZINC000001529452

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).