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 synonyms

DL-Ethionine

Wikipedia:

Graphical representations:

2-amino-4-ethylsulfanylbutanoic acid image

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

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   6205
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_07878

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