Biological Magnetic Resonance Data Bank

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


Graphical representations:

L-Glutamine image

View large 3D structure

Molecular Formula: C5 H10 N2 O3

Natural Isotopic Abundance Mass: 146.1445000000

Mono-Isotopic Molecular Masses:

  • C12N14: 146.069142198
  • C13N14: 151.085916387
  • C12N15: 148.063211984
  • C13N15: 153.0799861731

InChI String: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1

isomeric SMILES: C(CC(=O)N)[C@@H](C(=O)O)N

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

(2S)-2-amino-4-carbamoyl-butanoic acid

IUPAC traditional: IUPAC cas: IUPAC openeye
2-amino-4-carbamoyl-butanoic acid

IUPAC systematic
(2S)-2-amino-4-aminocarbonyl-butanoic acid

PubChem Substance (SID):   85164886   148793   3597
PubChem Compound (CID):   5961
KEGG: Compound ID   C00303
CAS Registry IDs:   32640-56-5   56-85-9
PDB Chemical Component   GLN   GLN_LFOH   GLN_LFZW
Miscellaneous Databases and IDs:   CHEBI 28300   EINECS 200-292-1   Beilstein Handbook Reference 4-04-00-03038   NSC 27421   FEMA No. 3684

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,