Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

MAA : Summary

Code

MAA

One-letter code

A

Molecule name

N-methyl-L-alanine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methyl-L-alanine
OpenEye OEToolkits 1.7.0 (2S)-2-(methylamino)propanoic acid

Formula

C4 H9 N O2

Formal charge

0

Molecular weight

103.12 Da

SMILES

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

IUPAC InChI

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

IUPAC InChI key

GDFAOVXKHJXLEI-VKHMYHEASA-N
MAA

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned