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Serinyl-Glutamate

July 21, 2017
Common Name

Serinyl-Glutamate Description

Serinyl-Glutamate is a dipeptide composed of serine and glutamate. 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

MOLSDFPDBSMILESInChI

Structure for HMDB29038 (Serinyl-Glutamate)

Synonyms

Value Source L-Serinyl-L-glutamateHMDB S-e DipeptideHMDB SE dipeptideHMDB Ser-gluHMDB Serine glutamate dipeptideHMDB Serine-glutamate dipeptideHMDB SerinylglutamateHMDB

Chemical Formlia

C8H13N2O6 Average Molecliar Weight

233.1986 Monoisotopic Molecliar Weight

233.077361158 IUPAC Name

2-(2-amino-3-hydroxypropanamido)-4-carboxybutanoate Traditional Name

2-(2-amino-3-hydroxypropanamido)-4-carboxybutanoate CAS Registry Number

Not Available SMILES

NC(CO)C(=O)NC(CCC(O)=O)C([O-])=O

InChI Identifier

InChI=1S/C8H14N2O6/c9-4(3-11)7(14)10-5(8(15)16)1-2-6(12)13/h4-5,11H,1-3,9H2,(H,10,14)(H,12,13)(H,15,16)/p-1

InChI Key

LAFKUZYWNCHOHT-UHFFFAOYSA-M 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

  • Glutamic acid and derivatives
  • N-acyl-alpha amino acids
  • Serine and derivatives
  • Alpha amino acid amides
  • Dicarboxylic acids and derivatives
  • Fatty acids and conjugates
  • Secondary carboxylic acid amides
  • Amino acids
  • Carboxylic acids
  • Primary alcohols
  • Hydrocarbon derivatives
  • Monoalkylamines
  • Organic oxides
  • Carbonyl compounds
  • Organopnictogen compounds
  • Organic anions

    • Substituents

  • Alpha-dipeptide
  • Glutamic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • Alpha-amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Carbonyl group
  • Alcohol
  • Amine
  • Primary amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic anion
  • 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-5.12Extrapolated

    Predicted Properties

    Property Value Source Water Solubility62.1 mg/mLALOGPS logP-3.3ALOGPS logP-5.1ChemAxon logS-0.61ALOGPS pKa (Strongest Acidic)3.14ChemAxon pKa (Strongest Basic)7.85ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area152.78 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity60.97 m3·mol-1ChemAxon Polarizability21.3 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

    HMDB29038 Metagene Link

    HMDB29038 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Bisantrene

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Morii H, Saiki M, Konakahara T, Ishimura M: Peripheral region for core cross-beta plays important role in amyloidogenicity. Biochem Biophys Res Commun. 2006 Apr 14;342(3):808-16. Epub 2006 Feb 14. [PubMed:16499867 ]

    PMID: 18433734

    Last updated on