BioLiP

PDB

BioLiP

PDB CCD ID:

MAA

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O2

InChI:

InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m0/s1

InChIKey:

GDFAOVXKHJXLEI-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.370	CN[C@@H](C)C(O)=O
ACDLabs 12.01	O=C(O)C(NC)C
CACTVS 3.370	CN[CH](C)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C(=O)O)NC
OpenEye OEToolkits 1.7.0	C[C@@H](C(=O)O)NC

Name:

N-methyl-L-alanine

ChEMBL:

CHEMBL1234201

ZINC:

ZINC000000901468

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).