BioLiP

PDB

BioLiP

PDB CCD ID:

MJS

Number of entries in BioLiP:

Chemical formula:

C6 H18 B N2 O2

InChI:

InChI=1S/C6H17BN2O2/c1-11-7(10)6(9)4-2-3-5-8/h6,10H,2-5,8-9H2,1H3/p+1/t6-/m0/s1

InChIKey:

POFYNIGXYSRKTM-LURJTMIESA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	B(C(CCCC[NH3+])N)(O)OC
ACDLabs 12.01	OB(OC)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.7.0	B([C@H](CCCC[NH3+])N)(O)OC
CACTVS 3.370	COB(O)[CH](N)CCCC[NH3+]
CACTVS 3.370	COB(O)[C@@H](N)CCCC[NH3+]

Name:

(5R)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium

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).