ChemFOnt: Showing chemical card for Glutaminylglutamic acid (CFc000010065)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:23 UTC

Chemfont ID

CFc000010065

Molecule Identification

Common Name

Glutaminylglutamic acid

Definition

Glutaminylglutamic acid is a dipeptide composed of glutamine and glutamic acid. 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.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
L-GLN-L-Glu	ChEBI
QE	ChEBI
Glutaminylglutamate	Generator
GLN-Glu	HMDB
L-Glutaminyl-L-glutamic acid	HMDB
L-Glutaminyl-L-glutamate	HMDB
N-Glutaminylglutamic acid	HMDB
N-Glutaminylglutamate	HMDB
N-L-Glutaminyl-L-glutamic acid	HMDB
N-L-Glutaminyl-L-glutamate	HMDB
Glutaminyl-glutamic acid	HMDB
Glutaminyl-glutamate	HMDB
Glutamine glutamic acid dipeptide	HMDB
Glutamine glutamate dipeptide	HMDB
Glutamine-glutamic acid dipeptide	HMDB
Glutamine-glutamate dipeptide	HMDB
Q-e Dipeptide	HMDB
QE dipeptide	HMDB
Glutaminylglutamic acid	HMDB, ChEBI

Chemical Formula

C₁₀H₁₇N₃O₆

Average Molecular Weight

275.261

Monoisotopic Molecular Weight

275.111735279

IUPAC Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid

Traditional Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]pentanedioic acid

CAS Registry Number

88830-90-4

SMILES

N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C10H17N3O6/c11-5(1-3-7(12)14)9(17)13-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H2,12,14)(H,13,17)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChI Key

OWOFCNWTMWOOJJ-WDSKDSINSA-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
Glutamic acid or derivatives
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acyl-amine
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Fatty amide
Amino acid
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73847 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028796)

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	6.31 g/L	ALOGPS
logP	-3.6	ALOGPS
logP	-5.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.24	ChemAxon
pKa (Strongest Basic)	8.23	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	172.81 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	61.2 m³·mol⁻¹	ChemAxon
Polarizability	26.18 Å³	ChemAxon
Number of Rings	0	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

HMDB0028796

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111845

KNApSAcK ID

Not Available

Chemspider ID

5382986

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7020029

PDB ID

Not Available

ChEBI ID

73847

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glutaminylglutamic acid (CFc000010065)

MOL for CFc000010065 (Glutaminylglutamic acid)

3D MOL for CFc000010065 (Glutaminylglutamic acid)

3D SDF for CFc000010065 (Glutaminylglutamic acid)

3D-SDF for CFc000010065 (Glutaminylglutamic acid)

PDB for CFc000010065 (Glutaminylglutamic acid)

3D PDB for CFc000010065 (Glutaminylglutamic acid)

SMILES for CFc000010065 (Glutaminylglutamic acid)

INCHI for CFc000010065 (Glutaminylglutamic acid)

Structure for CFc000010065 (Glutaminylglutamic acid)

3D Structure for CFc000010065 (Glutaminylglutamic acid)