Met007161: Ala Asp Thr

  Metabolite Information

Name
Ala Asp Thr
IUPAC Name
(3S)-3-[[(2S)-2-aminopropanoyl]amino]-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-oxobutanoic acid
Molecular Formula
C11H19N3O7
Molecular Weight
305.28
Exact Mass
305.1223
SMILES
CC(C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)N)O
InChIKey
BTYTYHBSJKQBQA-GCJQMDKQSA-N
InChI
InChI=1S/C11H19N3O7/c1-4(12)9(18)13-6(3-7(16)17)10(19)14-8(5(2)15)11(20)21/h4-6,8,15H,3,12H2,1-2H3,(H,13,18)(H,14,19)(H,16,17)(H,20,21)/t4-,5+,6-,8-/m0/s1
Other Databases Link
PubChem:145453543

  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

cauliflower

  Metabolite Spectrum Accession Label

CAU00015p