Showing metabocard for Methionyl-Glutamate (BMDB0064001)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:35:02 UTC
Update Date2020-04-22 15:56:28 UTC
BMDB IDBMDB0064001
Secondary Accession Numbers
  • BMDB64001
Metabolite Identification
Common NameMethionyl-Glutamate
DescriptionMethionyl-Glutamate, also known as m-e dipeptide or met-glu, 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. Based on a literature review very few articles have been published on Methionyl-Glutamate.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
Methionyl-glutamic acidGenerator
L-Methionyl-L-glutamateHMDB
m-e DipeptideHMDB
ME dipeptideHMDB
Met-gluHMDB
Methionine glutamate dipeptideHMDB
Methionine-glutamate dipeptideHMDB
MethionylglutamateHMDB
Methionylglutamic acidHMDB
2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}pentanedioateHMDB
2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}pentanedioateHMDB
2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}pentanedioic acidHMDB
Chemical FormulaC10H18N2O5S
Average Molecular Weight278.32
Monoisotopic Molecular Weight278.093642862
IUPAC Name2-[2-amino-4-(methylsulfanyl)butanamido]pentanedioic acid
Traditional Name2-[2-amino-4-(methylsulfanyl)butanamido]pentanedioic acid
CAS Registry NumberNot Available
SMILES
CSCCC(N)C(=O)NC(CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H18N2O5S/c1-18-5-4-6(11)9(15)12-7(10(16)17)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)
InChI KeyADHNYKZHPOEULM-UHFFFAOYSA-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
  • Methionine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Secondary carboxylic acid amide
  • Amino acid
  • Amino acid or derivatives
  • Carboxamide group
  • Sulfenyl compound
  • Thioether
  • Dialkylthioether
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Amine
  • Organosulfur compound
  • Primary amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.9ALOGPS
logP-3.4ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)3.36ChemAxon
pKa (Strongest Basic)8.42ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity65.67 m³·mol⁻¹ChemAxon
Polarizability28.08 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0028972
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111993
KNApSAcK IDNot Available
Chemspider ID15477877
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14843111
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available