L-Kynurenine

L-Kynurenine bmse000172 - Data bmst000191 - Theory

L_kynurenine synonyms

Kynurenine, L-; 3-Anthraniloyl-L-alanine

Wikipedia:

Graphical representations:

L_kynurenine

View large 3D structure

Molecular Formula: C10H12N2O3

Natural Isotopic Abundance Mass: 208.2138800000

Mono-Isotopic Molecular Masses:

  • C12N14: 208.084792262
  • C13N14: 218.11834064
  • C12N15: 210.078862048
  • C13N15: 220.1124104263

InChI string: InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1

IUPAC: (2S)-2-amino-4-(2-aminophenyl)-4-oxo-butanoic acid

PubChem Compound (CID): 161166
KEGG Compound ID: C00328
CAS Registry number: 2922-83-0
ChEBI: 16946
CCRIS: 4425
PDB Compound ID: KYN

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, https://www.nature.com/articles/sdata201773)