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Asparaginyl-Glycine

July 24, 2017
Common Name

Asparaginyl-Glycine Description

Asparaginyl-Glycine is a dipeptide composed of asparagine and glycine. 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

Synonyms

Value Source Asn-glyHMDB Asparagine glycine dipeptideHMDB Asparagine-glycine dipeptideHMDB AsparaginylglycineHMDB L-Asparaginyl-L-glycineHMDB N-g DipeptideHMDB NG DipeptideHMDB

Chemical Formlia

C6H11N3O4 Average Molecliar Weight

189.1692 Monoisotopic Molecliar Weight

189.074955855 IUPAC Name

2-(2-amino-3-carbamoylpropanamido)acetic acid Traditional Name

(2-amino-3-carbamoylpropanamido)acetic acid CAS Registry Number

Not Available SMILES

NC(CC(N)=O)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C6H11N3O4/c7-3(1-4(8)10)6(13)9-2-5(11)12/h3H,1-2,7H2,(H2,8,10)(H,9,13)(H,11,12)

InChI Key

KLKHFFMNGWULBN-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

  • Asparagine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Primary carboxylic acid amides
  • Amino acids
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Organopnictogen compounds
  • Organic oxides
  • Monoalkylamines
  • Hydrocarbon derivatives
  • Carbonyl compounds

    • Substituents

  • Alpha-dipeptide
  • Asparagine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Fatty amide
  • Fatty acyl
  • N-acyl-amine
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organooxygen 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-5.4Extrapolated

    Predicted Properties

    Property Value Source Water Solubility18.1 mg/mLALOGPS logP-3.4ALOGPS logP-5.4ChemAxon logS-1ALOGPS pKa (Strongest Acidic)3.43ChemAxon pKa (Strongest Basic)7.35ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area135.51 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity41.16 m3·mol-1ChemAxon Polarizability17.32 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

    HMDB28731 Metagene Link

    HMDB28731 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Neostigmine (Bromide)

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Titani K, Koide A, Ericsson LH, Kumar S, Hermann J, Wade RD, Walsh KA, Neurath H, Fischer EH: Sequence of the carboxyl-terminal 492 residues of rabbit muscle glycogen phosphorylase including the pyridoxal 5-phosphate binding site. Biochemistry. 1978 Dec 26;17(26):5680-93. [PubMed:728426 ]
    2. Furuta H, Kajita A: Dimeric hemoglobin of the bivalve mollusc Anadara broughtonii: complete amino acid sequence of the globin chain. Biochemistry. 1983 Feb 15;22(4):917-22. [PubMed:6838831 ]

    PMID: 24925855

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