BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

N-methyl-L-aspartic Acid

N-methyl-L-aspartic Acid bmse000741 - Data

N_methyl_L_aspartic_acid synonyms

nchembio.146-comp11; N-Methyl aspartic acid; N-Methyl-L-aspartic acid; (S)-2-(Methylamino)succinic acid; L-Aspartic acid, N-methyl- (9CI)

Wikipedia:

Graphical representations:

N_methyl_L_aspartic_acid

View large 3D structure

Molecular Formula: C5H9NO4

Natural Isotopic Abundance Mass: 147.12926

Mono-Isotopic Molecular Masses:

  • C12N14: 147.0531577825
  • C13N14: 152.0699319715
  • C12N15: 148.0501926757
  • C13N15: 153.0669668647

InChI string: InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1

PubChem Compound (CID): 92982
CAS Registry number: 4226-18-0
Sigma-Aldrich: M3387_SIGMA
ChemIDplus: 004226180
MMCD: cq_08818

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)