Met002664: C20915

  Metabolite Information

Name
C20915
IUPAC Name
(5S)-5-amino-2-(aminomethyl)-6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-6-oxohexanoic acid
Molecular Formula
C11H21N3O6
Molecular Weight
291.3
Exact Mass
291.1430354
SMILES
CC(C(C(=O)O)NC(=O)C(CCC(CN)C(=O)O)N)O
InChIKey
MDUSHNNLINVHSC-BJLRKGDGSA-N
InChI
InChI=1S/C11H21N3O6/c1-5(15)8(11(19)20)14-9(16)7(13)3-2-6(4-12)10(17)18/h5-8,15H,2-4,12-13H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t5-,6?,7+,8+/m1/s1
Other Databases Link
PubChem:92042781

  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

potato

  Metabolite Spectrum Accession Label

POT00006p