BioLiP

PDB

BioLiP

PDB CCD ID:

4NI

Number of entries in BioLiP:

Chemical formula:

C4 H7 N O4

InChI:

InChI=1S/C4H7NO4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)

InChIKey:

SUFKNMKUIYHURJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(=O)O)C[N+](=O)[O-]
ACDLabs 10.04	[O-][N+](=O)CCCC(=O)O
CACTVS 3.341	OC(=O)CCC[N+]([O-])=O

Name:

4-nitrobutanoic 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).