Showing metabocard for Glutamylmethionine (BMDB0063875)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:27:39 UTC
Update Date2020-04-22 15:55:40 UTC
BMDB IDBMDB0063875
Secondary Accession Numbers
  • BMDB63875
Metabolite Identification
Common NameGlutamylmethionine
DescriptionGlutamylmethionine, also known as L-glu-L-met or E-M, 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 a significant number of articles have been published on Glutamylmethionine.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
E-MChEBI
EMChEBI
L-Glu-L-metChEBI
e-m DipeptideHMDB
EM dipeptideHMDB
Glu-metHMDB
Glutamate methionine dipeptideHMDB
Glutamate-methionine dipeptideHMDB
L-Glutamyl-L-methionineHMDB
Glutamyl-methionineHMDB
Α-glu-metHMDB
Α-L-glu-L-metHMDB
Α-glutamylmethionineHMDB
Α-L-glutamyl-L-methionineHMDB
L-Α-glutamyl-L-methionineHMDB
N-Α-glutamylmethionineHMDB
N-Α-L-glutamyl-L-methionineHMDB
N-L-Α-glutamylmethionineHMDB
N-L-Α-glutamyl-L-methionineHMDB
alpha-Glu-metHMDB
alpha-L-Glu-L-metHMDB
alpha-GlutamylmethionineHMDB
alpha-L-Glutamyl-L-methionineHMDB
L-alpha-Glutamyl-L-methionineHMDB
N-alpha-GlutamylmethionineHMDB
N-alpha-L-Glutamyl-L-methionineHMDB
N-L-alpha-GlutamylmethionineHMDB
N-L-alpha-Glutamyl-L-methionineHMDB
N-GlutamylmethionineHMDB
N-L-Glutamyl-L-methionineHMDB
Glutamic acid methionine dipeptideHMDB
Glutamic acid-methionine dipeptideHMDB
GlutamylmethionineHMDB, MeSH
Chemical FormulaC10H18N2O5S
Average Molecular Weight278.32
Monoisotopic Molecular Weight278.093642862
IUPAC Name(4S)-4-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Traditional Name(4S)-4-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-9(15)6(11)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1
InChI KeySXGAGTVDWKQYCX-BQBZGAKWSA-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
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Amino fatty acid
  • Thia fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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-1.9ALOGPS
pKa (Strongest Acidic)3.35ChemAxon
pKa (Strongest Basic)8.45ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity65.67 m³·mol⁻¹ChemAxon
Polarizability27.98 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 IDHMDB0028825
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111868
KNApSAcK IDNot Available
Chemspider ID4932367
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6426949
PDB IDNot Available
ChEBI ID73507
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available