BioLiP

PDB

BioLiP

PDB CCD ID:

A1EJ4

Number of entries in BioLiP:

Chemical formula:

C10 H19 N3 O3

InChI:

InChI=1S/C10H19N3O3/c1-8(14)13-7-6-12-5-3-2-4-9(11)10(15)16/h6,9H,2-5,7,11H2,1H3,(H,13,14)(H,15,16)/b12-6+/t9-/m0/s1

InChIKey:

OJPIRTKHYJPBKG-DAVUEJTQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC/C=N/CCCC[C@@H](C(=O)O)N
CACTVS 3.385	CC(=O)NCC=NCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7	CC(=O)NCC=NCCCCC(C(=O)O)N
CACTVS 3.385	CC(=O)NCC=NCCCC[CH](N)C(O)=O

Name:

(2~{S})-6-[(~{E})-2-acetamidoethylideneamino]-2-azanyl-hexanoic acid

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).