ChemFOnt: Showing chemical card for Arginyllysine (CFc000009983)

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

CFc000009983

Molecule Identification

Common Name

Arginyllysine

Definition

Arginyllysine is a dipeptide composed of arginine and lysine. 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
Arginyl-lysine	ChEBI
L-Arg-L-lys	ChEBI
RK	ChEBI
Arginine-lysine	HMDB
Arg-lys	HMDB
Amadorine	HMDB
Arginine lysine dipeptide	HMDB
Arginine-lysine dipeptide	HMDB
L-Arginyl-L-lysine	HMDB
N2-Arginyllysine	HMDB
N2-L-Arginyl-L-lysine	HMDB
R-K Dipeptide	HMDB
RK Dipeptide	HMDB
Arginyllysine	ChEBI

Chemical Formula

C₁₂H₂₆N₆O₃

Average Molecular Weight

302.379

Monoisotopic Molecular Weight

302.206638721

IUPAC Name

(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanoic acid

Traditional Name

(2S)-6-amino-2-[(2S)-2-amino-5-carbamimidamidopentanamido]hexanoic acid

CAS Registry Number

40968-46-5

SMILES

NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1

InChI Key

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73816 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028714)

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	0.37 g/L	ALOGPS
logP	-3.7	ALOGPS
logP	-3.9	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	3.82	ChemAxon
pKa (Strongest Basic)	12.05	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	180.34 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	88.53 m³·mol⁻¹	ChemAxon
Polarizability	32.71 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0028714

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111771

KNApSAcK ID

Not Available

Chemspider ID

4932424

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6427006

PDB ID

Not Available

ChEBI ID

73816

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Arginyllysine (CFc000009983)

MOL for CFc000009983 (Arginyllysine)

3D MOL for CFc000009983 (Arginyllysine)

3D SDF for CFc000009983 (Arginyllysine)

3D-SDF for CFc000009983 (Arginyllysine)

PDB for CFc000009983 (Arginyllysine)

3D PDB for CFc000009983 (Arginyllysine)

SMILES for CFc000009983 (Arginyllysine)

INCHI for CFc000009983 (Arginyllysine)

Structure for CFc000009983 (Arginyllysine)

3D Structure for CFc000009983 (Arginyllysine)