BioLiP

PDB

BioLiP

PDB CCD ID:

7UC

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1

InChIKey:

VRGLRLBEHJTRMK-SCSAIBSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(CC(=O)O)NCC(=O)O
CACTVS 3.385	C[C@H](CC(O)=O)NCC(O)=O
CACTVS 3.385	C[CH](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.6	C[C@H](CC(=O)O)NCC(=O)O

Name:

(3~{R})-3-(2-hydroxy-2-oxoethylamino)butanoic 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).