ChemFOnt: Showing chemical card for Arginylglutamic acid (CFc000009977)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:17 UTC

Chemfont ID

CFc000009977

Molecule Identification

Common Name

Arginylglutamic acid

Definition

Arginylglutamic acid is a dipeptide composed of arginine 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
Arg-glu	ChEBI
H-Arg-glu-OH	ChEBI
N-L-Arginyl-L-glutamic acid	ChEBI
N-L-Arginyl-L-glutamate	Generator
Arginylglutamate	Generator
L-Arginyl-L-glutamate	HMDB
Arginine glutamate dipeptide	HMDB
Arginine glutamic acid dipeptide	HMDB
Arginine-glutamate dipeptide	HMDB
Arginine-glutamic acid dipeptide	HMDB
Arginyl-glutamate	HMDB
Arginyl-glutamic acid	HMDB
L-Arg-L-glu	HMDB
L-Arginyl-L-glutamic acid	HMDB
N-Arginylglutamate	HMDB
N-Arginylglutamic acid	HMDB
NSC 186916	HMDB
R-e Dipeptide	HMDB
RE dipeptide	HMDB

Chemical Formula

C₁₁H₂₁N₅O₅

Average Molecular Weight

303.319

Monoisotopic Molecular Weight

303.154268796

IUPAC Name

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]pentanedioic acid

Traditional Name

Arg-Glu

CAS Registry Number

15706-89-5

SMILES

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

InChI Identifier

InChI=1S/C11H21N5O5/c12-6(2-1-5-15-11(13)14)9(19)16-7(10(20)21)3-4-8(17)18/h6-7H,1-5,12H2,(H,16,19)(H,17,18)(H,20,21)(H4,13,14,15)/t6-,7-/m0/s1

InChI Key

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:63357 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028708)

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	0.49 g/L	ALOGPS
logP	-3.7	ALOGPS
logP	-6.3	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	3.23	ChemAxon
pKa (Strongest Basic)	12.04	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	191.62 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	82.01 m³·mol⁻¹	ChemAxon
Polarizability	30.21 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

HMDB0028708

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111765

KNApSAcK ID

Not Available

Chemspider ID

5362973

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6995003

PDB ID

Not Available

ChEBI ID

63357

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Arginylglutamic acid (CFc000009977)

MOL for CFc000009977 (Arginylglutamic acid)

3D MOL for CFc000009977 (Arginylglutamic acid)

3D SDF for CFc000009977 (Arginylglutamic acid)

3D-SDF for CFc000009977 (Arginylglutamic acid)

PDB for CFc000009977 (Arginylglutamic acid)

3D PDB for CFc000009977 (Arginylglutamic acid)

SMILES for CFc000009977 (Arginylglutamic acid)

INCHI for CFc000009977 (Arginylglutamic acid)

Structure for CFc000009977 (Arginylglutamic acid)

3D Structure for CFc000009977 (Arginylglutamic acid)