BioLiP

PDB

BioLiP

PDB CCD ID:

YFQ

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O2

InChI:

InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1

InChIKey:

UJVHVMNGOZXSOZ-VKHMYHEASA-N

SMILES:

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

Name:

beta-N-methylamino-L-alanine;
(2S)-2-azanyl-3-(methylamino)propanoic acid;
L-Bmaa;
3-(methylamino)-L-alanine

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).