BioLiP

PDB

BioLiP

PDB CCD ID:

3ZQ

Number of entries in BioLiP:

Chemical formula:

C6 H12 O2

InChI:

InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m0/s1

InChIKey:

PFURGBBHAOXLIO-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1CC[C@@H]([C@H](C1)O)O
ACDLabs 12.01	OC1CCCCC1O
CACTVS 3.385	O[CH]1CCCC[CH]1O
CACTVS 3.385	O[C@H]1CCCC[C@@H]1O
OpenEye OEToolkits 1.9.2	C1CCC(C(C1)O)O

Name:

(1S,2S)-cyclohexane-1,2-diol

ZINC:

ZINC000003851104

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).