BioLiP

PDB

BioLiP

PDB CCD ID:

A1L7T

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3

InChI:

InChI=1S/C5H11NO3/c1-5(2,6)3(7)4(8)9/h3,7H,6H2,1-2H3,(H,8,9)/t3-/m0/s1

InChIKey:

YNEGEPKXRPUBDF-VKHMYHEASA-N

SMILES:

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

Name:

(2~{R})-3-azanyl-3-methyl-2-oxidanyl-butanoic acid;
2-aminoisobutyric 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).