Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C11H12N2O2

Natural Isotopic Abundance Mass: 204.2251800000

Mono-Isotopic Molecular Masses:

  • C12N14: 204.08987764
  • C13N14: 215.126780856
  • C12N15: 206.083947426
  • C13N15: 215.126780856

InChI string: InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h14H

IUPAC: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid

PubChem Compound (CID): 6305
KEGG Compound ID: C00078
CAS Registry number: 6912-86-3 73-22-3 80206-30-0
ChEBI: 16828
NSC: 13119
CCRIS: 617
EINECS: 200-795-6
HSDB: 4142

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,