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BioLiP

PDB CCD ID: 33X
Number of entries in BioLiP: 0
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-/m1/s1
InChIKey: GDFAOVXKHJXLEI-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN[C@H](C)C(O)=O
OpenEye OEToolkits 1.7.6C[C@H](C(=O)O)NC
ACDLabs 12.01O=C(O)C(NC)C
CACTVS 3.385CN[CH](C)C(O)=O
OpenEye OEToolkits 1.7.6CC(C(=O)O)NC
Name:N-methyl-D-alanine
ChEMBL: CHEMBL5170064
ZINC: ZINC000003874422
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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