BioLiP

PDB

BioLiP

PDB CCD ID:

UQK

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O5

InChI:

InChI=1S/C6H9NO5/c1-6(2,5(11)12)7-3(8)4(9)10/h1-2H3,(H,7,8)(H,9,10)(H,11,12)

InChIKey:

ISTWWSBLMQHYIQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(NC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)(C(=O)O)NC(=O)C(=O)O

Name:

N-oxalyl-alpha-methylalanine;
2-(carboxycarbonylamino)-2-methyl-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).