BioLiP

PDB

BioLiP

PDB CCD ID:

KCR

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O3

InChI:

InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1

InChIKey:

IZHPCCLNIDDVFG-NCJLJLRUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC=CC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.9.2	CC=CC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.9.2	C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.385	C\C=C\C(=O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01	NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C

Name:

N-6-crotonyl-L-lysine

ZINC:

ZINC000230402790

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).