BMRB

Biological Magnetic Resonance Data Bank


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

DL-threo-beta-Methylaspartate

Graphical representations:

DL-threo-beta-Methylaspartate image

Molecular Formula: C5 H9 N O4

Natural Isotopic Abundance Mass: 147.12926

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical and isomeric SMILES: CC(C(C(=O)O)N)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-amino-3-methylbutanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2-amino-3-methyl-succinic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2-amino-3-methyl-butanedioic acid

PubChem Substance (SID):   85165150   35029196   2898
PubChem Compound (CID):   852
KEGG: Compound ID   n/a
CAS Registry IDs:   31571-69-4   6667-60-3
PDB Chemical Component   3MD   ACB
Miscellaneous Databases and IDs:   Sigma-Aldrich M6126_SIGMA   ChemIDplus 006667603   ChemSpider 13577644   BIND 1081   ChemDB 3966424

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.