BioLiP

PDB

BioLiP

PDB CCD ID:

LYU

Number of entries in BioLiP:

Chemical formula:

C12 H26 N2 O2

InChI:

InChI=1S/C12H26N2O2/c1-10(2)6-5-9-14-8-4-3-7-11(13)12(15)16/h10-11,14H,3-9,13H2,1-2H3,(H,15,16)/t11-/m0/s1

InChIKey:

VVVHWGMAVAYORR-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)CCCNCCCCC(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCCCNCCCC(C)C
CACTVS 3.370	CC(C)CCCNCCCC[CH](N)C(O)=O
CACTVS 3.370	CC(C)CCCNCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C)CCCNCCCC[C@@H](C(=O)O)N

Name:

N~6~-(4-methylpentyl)-L-lysine

ZINC:

ZINC000064746705

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).