BioLiP

PDB

BioLiP

PDB CCD ID:

Q7V

Number of entries in BioLiP:

Chemical formula:

C8 H22 B N2 O3

InChI:

InChI=1S/C8H22BN2O3/c10-6-4-8-11-7-3-1-2-5-9(12,13)14/h11-14H,1-8,10H2/q+1

InChIKey:

RWZPDLKEHZSJIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[B+](CCCCCNCCCN)(O)(O)O
CACTVS 3.385	NCCCNCCCCC[B+](O)(O)O
ACDLabs 12.01	C([B+](O)(O)O)CCCCNCCCN

Name:

5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron

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).