BMRB

Biological Magnetic Resonance Data Bank


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

4-Acetamidobutyric acid

Graphical representations:

4-Acetamidobutyric acid image

Molecular Formula: C6 H11 N O3

Natural Isotopic Abundance Mass: 145.15644

Mono-Isotopic Molecular Masses:

  • C12N14: 145.0738932246
  • C13N14: 151.0940222514
  • C12N15: 146.0709281178
  • C13N15: 152.0910571446

InCHi String: InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)

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

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
4-acetamidobutanoic acid

PUBCHEM iupac TRADITIONAL NAME
4-acetamidobutyric acid

PubChem Substance (SID):   85165255   161259   8144589
PubChem Compound (CID):   18189
KEGG: Compound ID   C02946
CAS Registry IDs:   3025-96-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChEBI CHEBI:17645   ChemIDplus 003025965   ChemSpider 17180   EINECS 221-186-1   Beilstein Handbook Reference 4-04-00-02604   ChemDB 4729065   NIST Chemistry WebBook 3194839940

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.