BMRB

Biological Magnetic Resonance Data Bank


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

2-amino-4-ethylsulfanylbutanoic Acid

2-amino-4-ethylsulfanylbutanoic Acid bmse001158 - Data

2-amino-4-ethylsulfanylbutanoic Acid synonyms

DL-Ethionine

Wikipedia:

Graphical representations:

2-amino-4-ethylsulfanylbutanoic

View large 3D structure

Molecular Formula: C6H13NO2S

Natural Isotopic Abundance Mass: 163.23792

Mono-Isotopic Molecular Masses:

  • C12N14: 163.066699661
  • C13N14: 169.086828689
  • C12N15: 164.063734554
  • C13N15: 170.083863582

InChI string: InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

MMCD: cq_07878
PubChem Compound (CID): 6205

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)