BioLiP

PDB

BioLiP

PDB CCD ID:

40S

Number of entries in BioLiP:

Chemical formula:

C6 H14 O2

InChI:

InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3

InChIKey:

SXFJDZNJHVPHPH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC(CCO)CCO
ACDLabs 12.01	OCCC(C)CCO

Name:

3-methylpentane-1,5-diol

ZINC:

ZINC000000391230

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).