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(alpha)-Acetyl-DL-ornithine synonyms

N-Acetylornithine; N2-Acetyl-L-ornithine


Graphical representations:

N(alpha)-Acetyl-DL-ornithine image

View large 3D structure

Molecular Formula: C7 H14 N2 O3

Natural Isotopic Abundance Mass: 174.1976600000

Mono-Isotopic Molecular Masses:

  • C12N14: 174.100442326
  • C13N14: 181.123926191
  • C12N15: 176.094512113
  • C13N15: 183.1179959771

InChI String: InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

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

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
(2S)-2-acetamido-5-amino-pentanoic acid

PubChem Substance (SID):   85165014   3726
PubChem Compound (CID):   439232
KEGG: Compound ID   C00437
CAS Registry IDs:   6205-08-9
PDB Chemical Component   AOR
Miscellaneous Databases and IDs:   CHEBI 16543

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,