BioLiP

PDB

BioLiP

PDB CCD ID:

A1BIE

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O3

InChI:

InChI=1S/C10H18N2O3/c1-7(2)9(13)12-6-4-3-5-8(11)10(14)15/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1

InChIKey:

SLDBQSXUDRDNOV-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	NC(CCCCNC(=O)C(=C)C)C(=O)O
OpenEye OEToolkits 3.1.0.0	CC(=C)C(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.385	CC(=C)C(=O)NCCCC[CH](N)C(O)=O
CACTVS 3.385	CC(=C)C(=O)NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 3.1.0.0	CC(=C)C(=O)NCCCCC(C(=O)O)N

Name:

N~6~-(2-methylprop-2-enoyl)-L-lysine

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).