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-acetylglycine

N-acetylglycine bmse000610 - Data

N_acetylglycine synonyms

AAC; N-acetylglycine; Acetamidoacetic acid; N-Acetylglycine; Glycine, N-acetyl-; Aceturic acid; N-acetyl-glycine

Wikipedia:

Graphical representations:

n_acetylglycine

View large 3D structure

Molecular Formula: C4H7NO3

Natural Isotopic Abundance Mass: 117.10328

Mono-Isotopic Molecular Masses:

  • C12N14: 117.0425930962
  • C13N14: 121.0560124474
  • C12N15: 118.0396279894
  • C13N15: 122.0530473406

InChI string: InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)

PubChem Compound (CID): 10972
CAS Registry number: 543-24-8
Sigma-Aldrich: A16300_ALDRICH
MMDB: 10908.6
KEGG Compound ID: A16300_ALDRICH
NMRShiftDB: 10016977
NIST Chemistry WebBook: 2579080728
NIST: 2579080728
MMCD: cq_10672
MDL: MFCD00004275
PDB Compound ID: AAC

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)