ChemFOnt: Showing chemical card for Histidinyl-Gamma-glutamate (CFc000010161)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:31 UTC

Chemfont ID

CFc000010161

Molecule Identification

Common Name

Histidinyl-Gamma-glutamate

Definition

Histidinyl-Gamma-glutamate is a dipeptide composed of histidine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Histidinyl-g-glutamate	Generator
Histidinyl-g-glutamic acid	Generator
Histidinyl-gamma-glutamic acid	Generator
Histidinyl-γ-glutamate	Generator
Histidinyl-γ-glutamic acid	Generator
H-GE dipeptide	HMDB
HGE dipeptide	HMDB
His-gglu	HMDB
Histidine gamma-glutamate dipeptide	HMDB
Histidine-gamma-glutamate dipeptide	HMDB
Histidinylgamma-glutamate	HMDB
L-Histidinyl-L-gamma-glutamate	HMDB
2-Amino-4-{[2-amino-3-(1H-imidazol-5-yl)propanoyl]-C-hydroxycarbonimidoyl}butanoate	HMDB

Chemical Formula

C₁₁H₁₇N₅O₄

Average Molecular Weight

283.2838

Monoisotopic Molecular Weight

283.128054057

IUPAC Name

2-amino-5-[2-amino-3-(1H-imidazol-5-yl)propanamido]-5-oxopentanoic acid

Traditional Name

2-amino-5-[2-amino-3-(3H-imidazol-4-yl)propanamido]-5-oxopentanoic acid

CAS Registry Number

None

SMILES

NC(CCC(=O)NC(=O)C(N)CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C11H17N5O4/c12-7(11(19)20)1-2-9(17)16-10(18)8(13)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12-13H2,(H,14,15)(H,19,20)(H,16,17,18)

InChI Key

PFZUBGMULASFDW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Histidine and derivatives

Alternative Parents

Substituents

Histidine or derivatives
Glutamine or derivatives
Alpha-amino acid amide
Alpha-amino acid
Imidazolyl carboxylic acid derivative
Aralkylamine
N-acyl-amine
Azole
Carboxylic acid imide, n-unsubstituted
Carboxylic acid imide
Imidazole
Dicarboximide
Heteroaromatic compound
Amino acid
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028899)

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	6.02 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-5.2	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	2.02	ChemAxon
pKa (Strongest Basic)	9.41	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	164.19 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	68.09 m³·mol⁻¹	ChemAxon
Polarizability	27.74 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

HMDB0028899

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111928

KNApSAcK ID

Not Available

Chemspider ID

35032814

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750770

PDB ID

Not Available

ChEBI ID

169018

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Histidinyl-Gamma-glutamate (CFc000010161)

MOL for CFc000010161 (Histidinyl-Gamma-glutamate)

3D MOL for CFc000010161 (Histidinyl-Gamma-glutamate)

3D SDF for CFc000010161 (Histidinyl-Gamma-glutamate)

3D-SDF for CFc000010161 (Histidinyl-Gamma-glutamate)

PDB for CFc000010161 (Histidinyl-Gamma-glutamate)

3D PDB for CFc000010161 (Histidinyl-Gamma-glutamate)

SMILES for CFc000010161 (Histidinyl-Gamma-glutamate)

INCHI for CFc000010161 (Histidinyl-Gamma-glutamate)

Structure for CFc000010161 (Histidinyl-Gamma-glutamate)

3D Structure for CFc000010161 (Histidinyl-Gamma-glutamate)