ChemFOnt: Showing chemical card for Histidylglutamic acid (CFc000010146)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:30 UTC

Chemfont ID

CFc000010146

Molecule Identification

Common Name

Histidylglutamic acid

Definition

Histidylglutamic acid is a dipeptide composed of histidine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
HE	ChEBI
Histidinyl-glutamate	ChEBI
Histidylglutamate	ChEBI
L-His-L-glu	ChEBI
Histidinyl-glutamic acid	Generator
H-e Dipeptide	HMDB
HE dipeptide	HMDB
His-glu	HMDB
Histidine glutamic acid dipeptide	HMDB
Histidine-glutamic acid dipeptide	HMDB
Histidinylglutamate	HMDB
Histidinylglutamic acid	HMDB
Histidyl-glutamic acid	HMDB
L-Histidinyl-L-glutamate	HMDB
L-Histidinyl-L-glutamic acid	HMDB
L-Histidyl-L-glutamic acid	HMDB
N-Histidinylglutamate	HMDB
N-Histidinylglutamic acid	HMDB
N-Histidylglutamate	HMDB
N-Histidylglutamic acid	HMDB
N-L-Histidinyl-L-glutamate	HMDB
N-L-Histidinyl-L-glutamic acid	HMDB
N-L-Histidyl-L-glutamate	HMDB
N-L-Histidyl-L-glutamic acid	HMDB
Histidylglutamic acid	ChEBI

Chemical Formula

C₁₁H₁₆N₄O₅

Average Molecular Weight

284.272

Monoisotopic Molecular Weight

284.112069631

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 Number

53634-28-9

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 Key

VHOLZZKNEBBHTH-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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

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 Framework

Aromatic heteromonocyclic compounds

External Descriptors

dipeptide (CHEBI:73928 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028884)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	5.26 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-6.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	3.07	ChemAxon
pKa (Strongest Basic)	7.84	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	158.4 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	65.58 m³·mol⁻¹	ChemAxon
Polarizability	27.3 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0028884

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111913

KNApSAcK ID

Not Available

Chemspider ID

5374150

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7010583

PDB ID

Not Available

ChEBI ID

73928

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Histidylglutamic acid (CFc000010146)

MOL for CFc000010146 (Histidylglutamic acid)

3D MOL for CFc000010146 (Histidylglutamic acid)

3D SDF for CFc000010146 (Histidylglutamic acid)

3D-SDF for CFc000010146 (Histidylglutamic acid)

PDB for CFc000010146 (Histidylglutamic acid)

3D PDB for CFc000010146 (Histidylglutamic acid)

SMILES for CFc000010146 (Histidylglutamic acid)

INCHI for CFc000010146 (Histidylglutamic acid)

Structure for CFc000010146 (Histidylglutamic acid)

3D Structure for CFc000010146 (Histidylglutamic acid)