BioLiP

PDB

BioLiP

PDB CCD ID:

A1IH8

Number of entries in BioLiP:

Chemical formula:

C8 H16 O2

InChI:

InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2/t7-,8-

InChIKey:

YIMQCDZDWXUDCA-ZKCHVHJHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[CH]1CC[CH](CO)CC1
OpenEye OEToolkits 2.0.7	C1CC(CCC1CO)CO
CACTVS 3.385	OC[C@@H]1CC[C@@H](CO)CC1

Name:

[4-(hydroxymethyl)cyclohexyl]methanol

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).