Showing metabocard for Glutamyltryptophan (BMDB0063879)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:27:53 UTC
Update Date2020-04-22 15:55:41 UTC
BMDB IDBMDB0063879
Secondary Accession Numbers
  • BMDB63879
Metabolite Identification
Common NameGlutamyltryptophan
DescriptionGlutamyltryptophan, also known as alpha-glu-TRP or e-W dipeptide, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Based on a literature review a significant number of articles have been published on Glutamyltryptophan.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
alpha-Glu-TRPChEBI
alpha-GlutamyltryptophanChEBI
L-alpha-Glu-L-TRPChEBI
L-Glu-L-TRPChEBI
OglufanideChEBI
a-Glu-TRPGenerator
Α-glu-TRPGenerator
a-GlutamyltryptophanGenerator
Α-glutamyltryptophanGenerator
L-a-Glu-L-TRPGenerator
L-Α-glu-L-TRPGenerator
Glu-TRPHMDB
L-alpha-Glutamyl-L-tryptophanHMDB
Α-L-glu-L-TRPHMDB
Α-L-glutamyl-L-tryptophanHMDB
L-Α-glutamyl-L-tryptophanHMDB
N-Α-glutamyltryptophanHMDB
N-Α-L-glutamyl-L-tryptophanHMDB
N-L-Α-glutamyltryptophanHMDB
N-L-Α-glutamyl-L-tryptophanHMDB
alpha-L-Glu-L-TRPHMDB
alpha-L-Glutamyl-L-tryptophanHMDB
N-alpha-GlutamyltryptophanHMDB
N-alpha-L-Glutamyl-L-tryptophanHMDB
N-L-alpha-GlutamyltryptophanHMDB
N-L-alpha-Glutamyl-L-tryptophanHMDB
IM 862HMDB
NSC 334073HMDB
ThymogenHMDB
TimogenHMDB
L-Glutamyl-L-tryptophanHMDB
N-GlutamyltryptophanHMDB
N-L-Glutamyl-L-tryptophanHMDB
Glutamyl-tryptophanHMDB
Glutamic acid tryptophan dipeptideHMDB
Glutamate tryptophan dipeptideHMDB
Glutamic acid-tryptophan dipeptideHMDB
Glutamate-tryptophan dipeptideHMDB
e-W DipeptideHMDB
EW dipeptideHMDB
GlutamyltryptophanHMDB, ChEBI
Chemical FormulaC16H19N3O5
Average Molecular Weight333.344
Monoisotopic Molecular Weight333.132470724
IUPAC Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Traditional Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
InChI Identifier
InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1
InChI KeyLLEUXCDZPQOJMY-AAEUAGOBSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Gamma amino acid or derivatives
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Amino fatty acid
  • Dicarboxylic acid or derivatives
  • Substituted pyrrole
  • Fatty acyl
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Amino acid
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Azacycle
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organooxygen compound
  • Primary amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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-1.5ALOGPS
logP-2.2ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)3.44ChemAxon
pKa (Strongest Basic)8.45ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area145.51 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity84.29 m³·mol⁻¹ChemAxon
Polarizability33.6 ųChemAxon
Number of Rings2ChemAxon
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 IDHMDB0028830
DrugBank IDDB05779
Phenol Explorer Compound IDNot Available
FooDB IDFDB111872
KNApSAcK IDNot Available
Chemspider ID90450
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound100094
PDB IDNot Available
ChEBI ID73512
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available