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Aspartyl-Aspartate

July 21, 2017
Common Name

Aspartyl-Aspartate Description

Aspartyl-Aspartate is a dipeptied compoosed of two aspartate residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB28749 (Aspartyl-Aspartate)

Synonyms

Value Source Asp-aspHMDB Aspartate aspartate dipeptideHMDB Aspartate-aspartate dipeptideHMDB AspartylaspartateHMDB D-D DipeptideHMDB DD DipeptideHMDB L-Aspartyl-L-aspartateHMDB

Chemical Formlia

C8H12N2O7 Average Molecliar Weight

248.1901 Monoisotopic Molecliar Weight

248.064450748 IUPAC Name

2-(2-amino-3-carboxypropanamido)butanedioic acid Traditional Name

2-(2-amino-3-carboxypropanamido)butanedioic acid CAS Registry Number

Not Available SMILES

NC(CC(O)=O)C(=O)NC(CC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C8H12N2O7/c9-3(1-5(11)12)7(15)10-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H,10,15)(H,11,12)(H,13,14)(H,16,17)

InChI Key

FRYULLIZUDQONW-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Dipeptides Alternative Parents

  • Aspartic acid and derivatives
  • N-acyl-alpha amino acids
  • Acyl homoserines
  • Alpha amino acid amides
  • Tricarboxylic acids and derivatives
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Carboxylic acids
  • Organopnictogen compounds
  • Organic oxides
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Aspartic acid or derivatives
  • Acyl-homoserine
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Tricarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • N-acyl-amine
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organooxygen compound
  • Primary amine
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound

    • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous

    • Biofunction

    Not Available Application

    Not Available Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP-4.91Extrapolated

    Predicted Properties

    Property Value Source Water Solubility10.1 mg/mLALOGPS logP-3.3ALOGPS logP-4.9ChemAxon logS-1.4ALOGPS pKa (Strongest Acidic)2.79ChemAxon pKa (Strongest Basic)8.53ChemAxon Physiological Charge-2ChemAxon Hydrogen Acceptor Count8ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area167.02 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity49.87 m3·mol-1ChemAxon Polarizability21.48 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

    Not Available Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB28749 Metagene Link

    HMDB28749 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Sermorelin

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Tamemoto H, Ishikawa SE, Kawakami M: Association of the Glu298Asp polymorphism of the eNOS Gene with ischemic heart disease in Japanese diabetic subjects. Diabetes Res Clin Pract. 2008 May;80(2):275-9. doi: 10.1016/j.diabres.2007.12.019. Epub 2008 Feb 19. [PubMed:18243394 ]
    2. Takahashi N, Sato T, Yamada T: Metabolic pathways for cytotoxic end product formation from glutamate- and aspartate-containing peptides by Porphyromonas gingivalis. J Bacteriol. 2000 Sep;182(17):4704-10. [PubMed:10940008 ]
    3. Kallay C, Varnagy K, Micera G, Sanna D, Sovago I: Copper(II) complexes of oligopeptides containing aspartyl and glutamyl residues. Potentiometric and spectroscopic studies. J Inorg Biochem. 2005 Jul;99(7):1514-25. [PubMed:15927267 ]
    4. Takahashi N, Sato T: Preferential utilization of dipeptides by Porphyromonas gingivalis. J Dent Res. 2001 May;80(5):1425-9. [PubMed:11437213 ]
    5. Kilyen M, Forgo P, Lakatos A, Dombi G, Kiss T, Kotsakis N, Salifoglou A: Interaction of Al(III) with the peptides AspAsp and AspAspAsp. J Inorg Biochem. 2003 Mar 1;94(3):207-13. [PubMed:12628700 ]
    6. Takahashi N, Sato T: Dipeptide utilization by the periodontal pathogens Porphyromonas gingivalis, Prevotella intermedia, Prevotella nigrescens and Fusobacterium nucleatum. Oral Microbiol Immunol. 2002 Feb;17(1):50-4. [PubMed:11860556 ]
    7. Choe YH, Conover CD, Wu D, Royzen M, Gervacio Y, Borowski V, Mehlig M, Greenwald RB: Anticancer drug delivery systems: multi-loaded N4-acyl poly(ethylene glycol) prodrugs of ara-C. II. Efficacy in ascites and solid tumors. J Control Release. 2002 Feb 19;79(1-3):55-70. [PubMed:11853918 ]
    8. Kim SI, Miyamoto T, Honjoh KI, Hio M, Hatano S: Molecular cloning, overproduction and characterization of the Bacillus cereus IMP dehydrogenase. Biosci Biotechnol Biochem. 2000 Jun;64(6):1210-6. [PubMed:10923792 ]

    PMID: 3335842

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