BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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N-Acetyl-L-glutamic acid

Graphical representations:

N-Acetyl-L-glutamic acid image

Molecular Formula: C7 H11 N O5

Natural Isotopic Abundance Mass: 189.16594

Mono-Isotopic Molecular Masses:

  • C12N14: 189.0637224688
  • C13N14: 196.0872063334
  • C12N15: 190.060757362
  • C13N15: 197.0842412266

InCHi String: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1

canonical SMILES: CC(=O)NC(CCC(=O)O)C(=O)O

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
(2S)-2-acetamidopentanedioic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-2-acetamidoglutaric acid

PubChem Substance (SID):   85165176   43127318   11491212
PubChem Compound (CID):   70914
KEGG: Compound ID   C00624
CAS Registry IDs:   7728-87-2   1188-37-0
PDB Chemical Component   NLG
Miscellaneous Databases and IDs:   Sigma-Aldrich 855642_ALDRICH   ChEBI CHEBI:17533   ChemIDplus 001188370   ChemSpider 64077   MMDB 61877.3   EINECS 214-708-4   NMRShiftDB 20112345

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.