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

Graphical representations:

n-acetylglycine image

Molecular Formula: C4 H7 N O3

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)

canonical and isomeric SMILES: CC(=O)NCC(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-acetamidoacetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-acetamidoethanoic acid

PubChem Substance (SID):   85165378   830758   10526305
PubChem Compound (CID):   10972
KEGG: Compound ID   A16300_ALDRICH
CAS Registry IDs:   543-24-8
PDB Chemical Component   AAC
Miscellaneous Databases and IDs:   Sigma-Aldrich A16300_ALDRICH   MMDB 10908.6   NMRShiftDB 10016977   NIST Chemistry WebBook 2579080728   NIST 2579080728   MMCD cq_10672   MDL MFCD00004275

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.