BioLiP

PDB

BioLiP

PDB CCD ID:

E4T

Number of entries in BioLiP:

Chemical formula:

C7 H14 O4

InChI:

InChI=1S/C7H14O4/c1-5-2-6(8,9)4-7(10,11)3-5/h5,8-11H,2-4H2,1H3

InChIKey:

KRXGBFOGDIQPEG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1CC(O)(O)CC(O)(O)C1
OpenEye OEToolkits 2.0.6	CC1CC(CC(C1)(O)O)(O)O

Name:

5-methylcyclohexane-1,1,3,3-tetrol

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).