Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120274
Identification
Name: N-acetylglutaminylglutamine amide
Description:Not Available
Structure
Thumb
Synonyms:
  • NAGGNz
  • N2-acetyl-L-glutaminyl-L-glutamamide
  • (2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]pentanediamide
  • N-Ac-Gln-gln-amide
  • L-glutamamide, N2-acetyl-L-glutaminyl-
Chemical Formula: C12H21N5O5
Average Molecular Weight: 315.328
Monoisotopic Molecular Weight: 315.15427
InChI Key: KLQXKYZBJWERSF-YUMQZZPRSA-N
InChI:InChI=1S/C12H21N5O5/c1-6(18)16-8(3-5-10(14)20)12(22)17-7(11(15)21)2-4-9(13)19/h7-8H,2-5H2,1H3,(H2,13,19)(H2,14,20)(H2,15,21)(H,16,18)(H,17,22)/t7-,8-/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(N)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent Dipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Glutamine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Fatty acyl
  • Fatty amide
  • N-acyl-amine
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight315.33 g/molPubChem
XLogP3-3.8 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count10 PubChem
Exact Mass315.154 g/molPubChem
Monoisotopic Mass315.154 g/molPubChem
Topological Polar Surface Area188 A^2PubChem
Heavy Atom Count22 PubChem
Formal Charge0 PubChem
Complexity465 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count2 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • N-acetylglutaminylglutamine amide biosynthesisPWY-7054
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CAS123199-99-5
    PUBCHEM129914