BioLiP

PDB

BioLiP

PDB CCD ID:

A1D5B

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O2

InChI:

InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1

InChIKey:

KPNBUPJZFJCCIQ-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)[CH](N)CCCCN
OpenEye OEToolkits 2.0.7	COC(=O)C(CCCCN)N
OpenEye OEToolkits 2.0.7	COC(=O)[C@H](CCCCN)N
CACTVS 3.385	COC(=O)[C@@H](N)CCCCN

Name:

methyl (2~{S})-2,6-bis(azanyl)hexanoate;
Methyl lysinate

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).