BioLiP

PDB

BioLiP

PDB CCD ID:

ALY

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O3

InChI:

InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

InChIKey:

DTERQYGMUDWYAZ-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(=O)NCCCC[C@H](N)C(O)=O
CACTVS 3.341	CC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CC(=O)NCCCC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(NCCCCC(N)C(=O)O)C

Name:

N(6)-ACETYLLYSINE

ChEMBL:

CHEMBL1230958

ZINC:

ZINC000001529433

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).