Showing metabocard for Glutamylhistidine (BMDB0063872)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:27:29 UTC
Update Date2020-04-22 15:55:39 UTC
BMDB IDBMDB0063872
Secondary Accession Numbers
  • BMDB63872
Metabolite Identification
Common NameGlutamylhistidine
DescriptionGlutamylhistidine, also known as glu-his or e-H dipeptide, 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 Glutamylhistidine.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
e-H DipeptideHMDB
EH dipeptideHMDB
Glu-hisHMDB
Glutamate histidine dipeptideHMDB
Glutamate-histidine dipeptideHMDB
L-Glutamyl-L-histidineHMDB
Α-glu-hisHMDB
Α-L-glu-L-hisHMDB
Α-glutamylhistidineHMDB
Α-L-glutamyl-L-histidineHMDB
L-Α-glutamyl-L-histidineHMDB
N-Α-glutamylhistidineHMDB
N-Α-L-glutamyl-L-histidineHMDB
N-L-Α-glutamylhistidineHMDB
N-L-Α-glutamyl-L-histidineHMDB
alpha-Glu-hisHMDB
alpha-L-Glu-L-hisHMDB
alpha-GlutamylhistidineHMDB
alpha-L-Glutamyl-L-histidineHMDB
L-alpha-Glutamyl-L-histidineHMDB
N-alpha-GlutamylhistidineHMDB
N-alpha-L-Glutamyl-L-histidineHMDB
N-L-alpha-GlutamylhistidineHMDB
N-L-alpha-Glutamyl-L-histidineHMDB
L-Glu-L-hisHMDB
N-GlutamylhistidineHMDB
N-L-Glutamyl-L-histidineHMDB
Glutamyl-histidineHMDB
Glutamic acid histidine dipeptideHMDB
Glutamic acid-histidine dipeptideHMDB
(4S)-4-Amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-C-hydroxycarbonimidoyl}butanoateHMDB
GlutamylhistidineHMDB
Chemical FormulaC11H16N4O5
Average Molecular Weight284.272
Monoisotopic Molecular Weight284.112069631
IUPAC Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Traditional Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(O)=O
InChI Identifier
InChI=1S/C11H16N4O5/c12-7(1-2-9(16)17)10(18)15-8(11(19)20)3-6-4-13-5-14-6/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1
InChI KeyHKTRDWYCAUTRRL-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
  • Histidine or derivatives
  • Glutamic acid or derivatives
  • N-acyl-l-alpha-amino acid
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Amino fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Organoheterocyclic compound
  • Azacycle
  • Carboxylic acid
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Amine
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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-3ALOGPS
logP-6.3ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.05ChemAxon
pKa (Strongest Basic)8.46ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area158.4 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity65.58 m³·mol⁻¹ChemAxon
Polarizability27.26 ųChemAxon
Number of Rings1ChemAxon
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 IDHMDB0028821
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111865
KNApSAcK IDNot Available
Chemspider ID8097510
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound9921875
PDB IDNot Available
ChEBI IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available