BioLiP

PDB

BioLiP

PDB CCD ID:

0XC

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O2

InChI:

InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h8H,1-4,7H2,(H,9,10)/b8-5+

InChIKey:

ONJCPSHPCDMDIU-VMPITWQZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CCN)CC(=N)C(=O)O
ACDLabs 12.01	O=C(O)C(=[N@H])CCCCN
OpenEye OEToolkits 1.7.6	[H]/N=C(\CCCCN)/C(=O)O
CACTVS 3.370	NCCCCC(=N)C(O)=O

Name:

(2E)-6-amino-2-iminohexanoic 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).