Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-Glutamic Acid

Graphical representations:

L-Glutamic acid image

View large 3D structure

Molecular Formula: C5 H9 N O4

Natural Isotopic Abundance Mass: 147.1292600000

Mono-Isotopic Molecular Masses:

  • C12N14: 147.053157782
  • C13N14: 152.069931972
  • C12N15: 148.050192676
  • C13N15: 153.0669668647

InChI String: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

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

IUPAC: IUPAC cas: IUPAC openeye: IUPAC systematic
2-aminopentanedioic acid

IUPAC traditional
2-aminoglutaric acid

PubChem Substance (SID):   85164885   148794   3596
PubChem Compound (CID):   611   33032
KEGG: Compound ID   C00302
CAS Registry IDs:   10549-13-0   138-15-8   138-16-9   16690-92-9   19238-49-4   19473-49-5   24595-14-0   55695-80-2   56-86-0   6899-05-4   7558-63-6
Miscellaneous Databases and IDs:   CHEBI 18237   CCRIS 7314   FEMA No. 3285   NSC 143503   EINECS 200-293-7

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,