BioLiP

PDB

BioLiP

PDB CCD ID:

HHI

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 O2

InChI:

InChI=1S/C6H7N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,7H,1H2,(H,8,9)(H,10,11)/b7-5+

InChIKey:

KOGKMQJSUUSGFN-FNORWQNLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)C(=N)Cc1[nH]cnc1
ACDLabs 12.01	O=C(O)C(=[N@H])Cc1cncn1
OpenEye OEToolkits 1.7.0	c1c([nH]cn1)CC(=N)C(=O)O
OpenEye OEToolkits 1.7.0	[H]/N=C(/Cc1cnc[nH]1)\C(=O)O

Name:

(2Z)-3-(1H-imidazol-5-yl)-2-iminopropanoic 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).