BioLiP

PDB

BioLiP

PDB CCD ID:

3QJ

Number of entries in BioLiP:

Chemical formula:

C6 H16 B O3

InChI:

InChI=1S/C6H16BO3/c1-2-3-4-5-6-7(8,9)10/h8-10H,2-6H2,1H3/q-1

InChIKey:

ZVNFLSCBVLLZCO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	[B-](CCCCCC)(O)(O)O
CACTVS 3.385	CCCCCC[B-](O)(O)O
ACDLabs 12.01	O[B-](O)(O)CCCCCC

Name:

hexyl(trihydroxy)borate(1-)

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).