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Asparaginyl-Proline

July 21, 2017
Common Name

Asparaginyl-Proline Description

Asparaginyl-Proline is a dipeptide composed of asparagine and proline. 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 HMDB28739 (Asparaginyl-Proline)

Synonyms

Value Source Asn-proHMDB Asparagine proline dipeptideHMDB Asparagine-proline dipeptideHMDB AsparaginylprolineHMDB L-Asparaginyl-L-prolineHMDB N-P DipeptideHMDB NP DipeptideHMDB

Chemical Formlia

C9H15N3O4 Average Molecliar Weight

229.2331 Monoisotopic Molecliar Weight

229.106255983 IUPAC Name

1-(2-amino-3-carbamoylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name

1-(2-amino-3-carbamoylpropanoyl)pyrrolidine-2-carboxylic acid CAS Registry Number

Not Available SMILES

NC(CC(N)=O)C(=O)N1CCCC1C(O)=O

InChI Identifier

InChI=1S/C9H15N3O4/c10-5(4-7(11)13)8(14)12-3-1-2-6(12)9(15)16/h5-6H,1-4,10H2,(H2,11,13)(H,15,16)

InChI Key

GADKFYNESXNRLC-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

  • Proline and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Pyrrolidine carboxylic acids
  • N-acylpyrrolidines
  • Fatty amides
  • Tertiary carboxylic acid amides
  • Primary carboxylic acid amides
  • Amino acids
  • Azacyclic compounds
  • Carboxylic acids
  • Monocarboxylic acids and derivatives
  • Organic oxides
  • Carbonyl compounds
  • Organopnictogen compounds
  • Hydrocarbon derivatives
  • Monoalkylamines

    • Substituents

  • Alpha-dipeptide
  • Proline or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acylpyrrolidine
  • Pyrrolidine carboxylic acid
  • Pyrrolidine carboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Pyrrolidine
  • Tertiary carboxylic acid amide
  • Amino acid
  • Carboxamide group
  • Amino acid or derivatives
  • Primary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound

    • Molecliar Framework

    Aliphatic heteromonocyclic 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-4.55Extrapolated

    Predicted Properties

    Property Value Source Water Solubility30.3 mg/mLALOGPS logP-3.1ALOGPS logP-4.6ChemAxon logS-0.88ALOGPS pKa (Strongest Acidic)3.5ChemAxon pKa (Strongest Basic)7.34ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area126.72 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity53.34 m3·mol-1ChemAxon Polarizability21.86 Å3ChemAxon Number of Rings1ChemAxon 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

    HMDB28739 Metagene Link

    HMDB28739 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: RA190

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References Not Available

    PMID: 2327568

    Last updated on