Showing metabocard for gamma-Glutamylleucine (BMDB0109649)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-05-05 15:49:07 UTC
Update Date2020-05-05 18:38:55 UTC
BMDB IDBMDB0109649
Secondary Accession NumbersNone
Metabolite Identification
Common Namegamma-Glutamylleucine
Descriptiongamma-Glutamylleucine, also known as γ-L-glutamyl-L-leucine or L-gamma-glu-L-leu, 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 small amount of articles have been published on gamma-Glutamylleucine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
L-gamma-Glu-L-leuChEBI
L-g-Glu-L-leuGenerator
L-Γ-glu-L-leuGenerator
g-GlutamylleucineGenerator
Γ-glutamylleucineGenerator
Γ-glu-leuHMDB
Γ-L-glu-L-leuHMDB
Γ-L-glutamyl-L-leucineHMDB
L-Γ-glutamyl-L-leucineHMDB
N-Γ-glutamylleucineHMDB
N-L-Γ-glutamylleucineHMDB
N-L-Γ-glutamyl-L-leucineHMDB
gamma-Glu-leuHMDB
gamma-L-Glu-L-leuHMDB
gamma-L-Glutamyl-L-leucineHMDB
L-gamma-Glutamyl-L-leucineHMDB
N-L-gamma-GlutamylleucineHMDB
N-L-gamma-Glutamyl-L-leucineHMDB
g-L-Glutamyl-L-leucineHMDB
gamma-Glutamyl-leucineHMDB
N-Γ-L-glutamyl-L-leucineHMDB
N-gamma-GlutamylleucineHMDB
N-gamma-L-Glutamyl-L-leucineHMDB
g-Glu-leuHMDB
gamma-GlutamylleucineHMDB, MeSH
Chemical FormulaC11H20N2O5
Average Molecular Weight260.2869
Monoisotopic Molecular Weight260.13722176
IUPAC Name(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-methylpentanoic acid
Traditional Name(2S)-2-[(4S)-4-amino-4-carboxybutanamido]-4-methylpentanoic acid
CAS Registry NumberNot Available
SMILES
CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
InChI KeyMYFMARDICOWMQP-YUMQZZPRSA-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
  • Gamma-glutamyl alpha-amino acid
  • Glutamine or derivatives
  • Leucine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • L-alpha-amino acid
  • Methyl-branched fatty acid
  • Branched fatty acid
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
OriginNot Available
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-2.6ALOGPS
logP-2.5ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)1.78ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity62.26 m³·mol⁻¹ChemAxon
Polarizability26.29 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0011171
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003617
KNApSAcK IDNot Available
Chemspider ID133115
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound151023
PDB IDNot Available
ChEBI ID68433
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available