BioLiP

PDB

BioLiP

PDB CCD ID:

I78

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O5

InChI:

InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1

InChIKey:

TZPZMVZGJVYAML-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](NC(=O)C(O)=O)C(O)=O
CACTVS 3.385	C[C@@H](NC(=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C[C@H](C(=O)O)NC(=O)C(=O)O
OpenEye OEToolkits 2.0.7	CC(C(=O)O)NC(=O)C(=O)O

Name:

(2~{R})-2-(carboxycarbonylamino)propanoic acid;
N-oxalyl-D-alanine

ChEMBL:

CHEMBL88472

ZINC:

ZINC000013725515

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).