L-Isoleucine

L_isoleucine synonyms

Isoleucine; Isoleucina [Spanish]; Acetic acid, amino-sec-butyl-; 2-Amino-3-methylpentanoic acid; (S-(R*,R*))-2-Amino-3-methylpentanoic acid; (2S,3S)-alpha-Amino-beta-methyl-n-valeric acid; Isoleucinum [Latin]; Pentanoic acid, 2-amino-3-methyl-, (S-(R*,R))-; erythro-L-Isoleucine; 2S,3S-Isoleucine; (2S,3S)-alpha-Amino-beta-merthyl-n-valeric acid

Wikipedia:

Graphical representations:

L_isoleucine

View large 3D structure

Molecular Formula: C6H13NO2

Natural Isotopic Abundance Mass: 131.1729200000

Mono-Isotopic Molecular Masses:

  • C12N14: 131.094628667
  • C13N14: 137.114757693
  • C12N15: 132.09166356
  • C13N15: 138.1117925867

InChI string: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1

IUPAC: (2S,3S)-2-amino-3-methyl-pentanoic acid

PubChem Compound (CID): 6306
KEGG Compound ID: C00407
CAS Registry number: 7004-09-3 73-32-5
ChEBI: 17191
NSC: 46708
CCRIS: 5229
EINECS: 200-798-2
PDB Compound ID: ILE ILE_LFOH ILE_LFZW

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)