BioLiP

PDB

BioLiP

PDB CCD ID:

HOO

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 O4

InChI:

InChI=1S/C6H7N3O4/c7-2(5(11)12)1-3-4(10)9-6(13)8-3/h2H,1,7H2,(H,11,12)(H,9,10,13)/t2-/m0/s1

InChIKey:

HQYOJZBTFAOZED-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(C1=NC(=O)NC1=O)C(C(=O)O)N
CACTVS 3.385	N[CH](CC1=NC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(C1=NC(=O)NC1=O)[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](CC1=NC(=O)NC1=O)C(O)=O

Name:

(2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic 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).