BioLiP

PDB

BioLiP

PDB CCD ID:

LGY

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O3

InChI:

InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1

InChIKey:

QHNKFGZIDRMVOP-SZUMLMDFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCCC/N=C/CCC=O
CACTVS 3.370	N[CH](CCCCN=CCCC=O)C(O)=O
CACTVS 3.370	N[C@@H](CCCCN=CCCC=O)C(O)=O
OpenEye OEToolkits 1.7.0	C(CCN=CCCC=O)CC(C(=O)O)N

Name:

(E)-N~6~-(4-oxobutylidene)-L-lysine

ZINC:

ZINC000098209111

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).