ChemFOnt: Showing chemical card for Glutaminylarginine (CFc000010060)

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

CFc000010060

Molecule Identification

Common Name

Glutaminylarginine

Definition

Glutaminylarginine is a dipeptide composed of glutamine and arginine. 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
GLN-Arg	HMDB
L-Glutaminyl-L-arginine	HMDB
N2-Glutaminylarginine	HMDB
N2-L-Glutaminyl-L-arginine	HMDB
Glutaminyl-arginine	HMDB
Glutamine arginine dipeptide	HMDB
Glutamine-arginine dipeptide	HMDB
Q-R Dipeptide	HMDB
QR Dipeptide	HMDB
L-GLN-L-Arg	HMDB
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-5-carbamimidamidopentanoate	HMDB
Glutaminylarginine	HMDB

Chemical Formula

C₁₁H₂₂N₆O₄

Average Molecular Weight

302.335

Monoisotopic Molecular Weight

302.170253212

IUPAC Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid

CAS Registry Number

126590-89-4

SMILES

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

InChI Identifier

InChI=1S/C11H22N6O4/c12-6(3-4-8(13)18)9(19)17-7(10(20)21)2-1-5-16-11(14)15/h6-7H,1-5,12H2,(H2,13,18)(H,17,19)(H,20,21)(H4,14,15,16)/t6-,7-/m0/s1

InChI Key

OPINTGHFESTVAX-BQBZGAKWSA-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
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
Fatty amide
N-acyl-amine
Fatty acid
Fatty acyl
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Guanidine
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Organic 1,3-dipolar compound
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Primary aliphatic amine
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Carbonyl group
Organooxygen compound
Primary amine
Organic oxygen compound
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028791)

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	0.44 g/L	ALOGPS
logP	-3.8	ALOGPS
logP	-4.8	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	3.54	ChemAxon
pKa (Strongest Basic)	12.09	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	197.41 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	83.83 m³·mol⁻¹	ChemAxon
Polarizability	30.83 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0028791

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111840

KNApSAcK ID

Not Available

Chemspider ID

74854303

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25216500

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glutaminylarginine (CFc000010060)

MOL for CFc000010060 (Glutaminylarginine)

3D MOL for CFc000010060 (Glutaminylarginine)

3D SDF for CFc000010060 (Glutaminylarginine)

3D-SDF for CFc000010060 (Glutaminylarginine)

PDB for CFc000010060 (Glutaminylarginine)

3D PDB for CFc000010060 (Glutaminylarginine)

SMILES for CFc000010060 (Glutaminylarginine)

INCHI for CFc000010060 (Glutaminylarginine)

Structure for CFc000010060 (Glutaminylarginine)

3D Structure for CFc000010060 (Glutaminylarginine)