BioLiP

PDB

BioLiP

PDB CCD ID:

71J

Number of entries in BioLiP:

Chemical formula:

C6 H12 O2

InChI:

InChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-

InChIKey:

VKONPUDBRVKQLM-IZLXSQMJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1CC[CH](O)CC1
CACTVS 3.385	O[C@@H]1CC[C@@H](O)CC1
ACDLabs 12.01	OC1CCC(O)CC1
OpenEye OEToolkits 2.0.5	C1CC(CCC1O)O

Name:

trans-cyclohexane-1,4-diol

ZINC:

ZINC000100026202

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).