BioLiP

PDB

BioLiP

PDB CCD ID:

KEO

Number of entries in BioLiP:

Chemical formula:

C12 H26 N4 O4

InChI:

InChI=1S/C12H26N4O4/c13-4-1-2-8(14)6-11(18)16-5-3-9(17)7-10(15)12(19)20/h8-10,17H,1-7,13-15H2,(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1

InChIKey:

PVEXBIJTZBFREJ-GUBZILKMSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCC[CH](N)CC(=O)NCC[CH](O)C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6	C(CC(CC(=O)NCCC(CC(C(=O)O)N)O)N)CN
CACTVS 3.385	NCCC[C@H](N)CC(=O)NCC[C@H](O)C[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6	C(C[C@@H](CC(=O)NCC[C@@H](C[C@@H](C(=O)O)N)O)N)CN

Name:

e(R)-beta-lysyl-hydroxylysine

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).