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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L-Anserine

Graphical representations:

L-Anserine image

Molecular Formula: C10 H16 N4 O3

Natural Isotopic Abundance Mass: 240.25904

Mono-Isotopic Molecular Masses:

  • C12N14: 240.1222404007
  • C13N14: 250.1557887787
  • C12N15: 244.1103799735
  • C13N15: 254.1439283515

InCHi String: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)

canonical and isomeric SMILES: CN1C=NC=C1CC(C(=O)O)NC(=O)CCN

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-(3-aminopropanoylamino)-3-(3-methylimidazol-4-yl)propionic acid

PUBCHEM iupac CAS NAME
2-[(3-amino-1-oxopropyl)amino]-3-(3-methyl-4-imidazolyl)propanoic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(3-azanylpropanoylamino)-3-(3-methylimidazol-4-yl)propanoic acid

PubChem Substance (SID):   111677901   154748   47794632
PubChem Compound (CID):   11444
KEGG: Compound ID   n/a
CAS Registry IDs:   584-85-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MDL MFCD00037001   CAS 10030-52-1   MMCD cq_00863   Sigma-Aldrich A1131_SIGMA   ChemBank SMP1_000024   EINECS 209-545-0   ChemDB 6045530   ChemIDplus 000584850

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.