N-acetylglutaminylglutamine (PAMDB120594)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120594
Identification
Name: N-acetylglutaminylglutamine
Description:Not Available
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • NAGG
Chemical Formula: C12H19N4O6
Average Molecular Weight: 315.305
Monoisotopic Molecular Weight: 316.13828
InChI Key: KKQQDQHEOLWKFV-YUMQZZPRSA-M
InChI:InChI=1S/C12H20N4O6/c1-6(17)15-7(2-4-9(13)18)11(20)16-8(12(21)22)3-5-10(14)19/h7-8H,2-5H2,1H3,(H2,13,18)(H2,14,19)(H,15,17)(H,16,20)(H,21,22)/p-1/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([O-])=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
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Acetamide
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass315.3025ChemAxon
logP-1.5608ChemAxon
H-bond acceptors10ChemAxon
H-bond donors4ChemAxon
Rotatable bonds12ChemAxon
PSA184.5100ChemAxon
RO5 violations0ChemAxon
RO3 violations5ChemAxon
Refractivity71.4457ChemAxon
Atoms41ChemAxon
Rings0ChemAxon
Heavy atoms22ChemAxon
Hydrogen atoms19ChemAxon
Heteroatoms10ChemAxon
N/O atoms10ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers2ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers2ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
L-Glutamine + acetyl-CoA → N-acetylglutaminylglutamine + coenzyme A + Water + Hydrogen ion
N-acetylglutaminylglutamine + L-Glutamine → N-acetylglutaminylglutamine amide + L-glutamate
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
    BioCycCPD-14437