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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:11 UTC
Update Date2021-09-14 15:37:03 UTC
HMDB IDHMDB0028708
Secondary Accession Numbers
  • HMDB28708
Metabolite Identification
Common NameArginylglutamic acid
DescriptionArginylglutamic acid, also known as arg-glu or arginylglutamate, 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. Arginylglutamic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make arginylglutamic acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Arginylglutamic acid.
Structure
Thumb
Synonyms
Chemical FormulaC11H21N5O5
Average Molecular Weight303.319
Monoisotopic Molecular Weight303.154268796
IUPAC Name(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]pentanedioic acid
Traditional NameArg-Glu
CAS Registry Number15706-89-5
SMILES
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C11H21N5O5/c12-6(2-1-5-15-11(13)14)9(19)16-7(10(20)21)3-4-8(17)18/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)/t6-,7-/m0/s1
InChI KeyHFKJBCPRWWGPEY-BQBZGAKWSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Glutamic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Carboxylic acid salt
  • Guanidine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organic salt
  • Amine
  • Primary amine
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-6.29Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111765
KNApSAcK IDNot Available
Chemspider ID5362973
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6995003
PDB IDNot Available
ChEBI ID63357
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Campos SR, Baptista AM: Conformational analysis in a multidimensional energy landscape: study of an arginylglutamate repeat. J Phys Chem B. 2009 Dec 10;113(49):15989-6001. doi: 10.1021/jp902991u. [PubMed:19778072 ]
  2. Kita Y, Arakawa T, Lin TY, Timasheff SN: Contribution of the surface free energy perturbation to protein-solvent interactions. Biochemistry. 1994 Dec 20;33(50):15178-89. [PubMed:7999778 ]