BioLiP

PDB

BioLiP

PDB CCD ID:

PRK

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O3

InChI:

InChI=1S/C9H18N2O3/c1-2-8(12)11-6-4-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H,11,12)(H,13,14)/t7-/m0/s1

InChIKey:

PCANIHQHQYUJPY-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CCC(=O)NCCCCC(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCCCNC(=O)CC
OpenEye OEToolkits 1.7.0	CCC(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.370	CCC(=O)NCCCC[CH](N)C(O)=O
CACTVS 3.370	CCC(=O)NCCCC[C@H](N)C(O)=O

Name:

N~6~-propanoyl-L-lysine;
N(6)-Propionyllysine

ZINC:

ZINC000013545298

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).