Showing metabocard for Histidylglutamic acid (BMDB0063921)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:30:17 UTC
Update Date2020-04-22 15:55:57 UTC
BMDB IDBMDB0063921
Secondary Accession Numbers
  • BMDB63921
Metabolite Identification
Common NameHistidylglutamic acid
DescriptionHistidylglutamic acid, also known as histidylglutamate or HE, 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 Histidylglutamic acid.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
HEChEBI
Histidinyl-glutamateChEBI
HistidylglutamateChEBI
L-His-L-gluChEBI
Histidinyl-glutamic acidGenerator
H-e DipeptideHMDB
HE dipeptideHMDB
His-gluHMDB
Histidine glutamic acid dipeptideHMDB
Histidine-glutamic acid dipeptideHMDB
HistidinylglutamateHMDB
Histidinylglutamic acidHMDB
Histidyl-glutamic acidHMDB
L-Histidinyl-L-glutamateHMDB
L-Histidinyl-L-glutamic acidHMDB
L-Histidyl-L-glutamic acidHMDB
N-HistidinylglutamateHMDB
N-Histidinylglutamic acidHMDB
N-HistidylglutamateHMDB
N-Histidylglutamic acidHMDB
N-L-Histidinyl-L-glutamateHMDB
N-L-Histidinyl-L-glutamic acidHMDB
N-L-Histidyl-L-glutamateHMDB
N-L-Histidyl-L-glutamic acidHMDB
Histidylglutamic acidChEBI
Chemical FormulaC11H16N4O5
Average Molecular Weight284.272
Monoisotopic Molecular Weight284.112069631
IUPAC Name(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid
Traditional Name(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/t7-,8-/m0/s1
InChI KeyVHOLZZKNEBBHTH-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-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Fatty amide
  • Fatty acyl
  • Dicarboxylic acid or derivatives
  • Imidazole
  • Azole
  • Heteroaromatic compound
  • Carboxamide group
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Amino acid
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Primary amine
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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-3.1ALOGPS
logP-6.1ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.07ChemAxon
pKa (Strongest Basic)7.84ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area158.4 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity65.58 m³·mol⁻¹ChemAxon
Polarizability27.3 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 IDHMDB0028884
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111913
KNApSAcK IDNot Available
Chemspider ID5374150
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7010583
PDB IDNot Available
ChEBI ID73928
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available