Met001572: Isoleucine
Metabolite Information
Name
Isoleucine
IUPAC Name
(2S,3S)-2-amino-3-methylpentanoic acid
Molecular Formula
C6H13NO2
Molecular Weight
131.17
Exact Mass
131.0946287
SMILES
CCC(C)C(C(=O)O)N
InChIKey
AGPKZVBTJJNPAG-WHFBIAKZSA-N
InChI
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
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
maize
medicago
rice
soybean
sweet_potato
wheat
morus
s_miltiorrhiza
eggplant
medicago
rice
soybean
sweet_potato
wheat
morus
s_miltiorrhiza
eggplant
Metabolite Spectrum Accession Label