ChemFOnt: Showing chemical card for Arginyltyrosine (CFc000009990)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:18 UTC

Chemfont ID

CFc000009990

Molecule Identification

Common Name

Arginyltyrosine

Definition

Arginyltyrosine is a dipeptide composed of arginine and tyrosine. 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-tyrosine	ChEBI
L-Arg-L-tyr	ChEBI
RY	ChEBI
Arg-tyr	HMDB
Arginine tyrosine dipeptide	HMDB
Arginine-tyrosine dipeptide	HMDB
L-Arginyl-L-tyrosine	HMDB
N-Arginyltyrosine	HMDB
N-L-Arginyl-L-tyrosine	HMDB
R-Y dipeptide	HMDB
RY dipeptide	HMDB
Retro-kyotorphin	HMDB
Arginyltyrosine	ChEBI

Chemical Formula

C₁₅H₂₃N₅O₄

Average Molecular Weight

337.38

Monoisotopic Molecular Weight

337.175004241

IUPAC Name

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid

CAS Registry Number

74863-12-0

SMILES

N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O

InChI Identifier

InChI=1S/C15H23N5O4/c16-11(2-1-7-19-15(17)18)13(22)20-12(14(23)24)8-9-3-5-10(21)6-4-9/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)/t11-,12-/m0/s1

InChI Key

XTWSWDJMIKUJDQ-RYUDHWBXSA-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
Tyrosine or derivatives
Phenylalanine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Fatty amide
N-acyl-amine
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Guanidine
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Carboxylic acid
Monocarboxylic acid or derivatives
Organooxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Primary amine
Carbonyl group
Amine
Primary aliphatic amine
Organic oxygen compound
Organonitrogen compound
Organopnictogen compound
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

dipeptide (CHEBI:73822 )

Functional Ontology

Not Available

Feces (PMID: 25037050)

Source

Endogenous

Endogenous (HMDB: HMDB0028721)

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	0.17 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-2.5	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	3.44	ChemAxon
pKa (Strongest Basic)	12.04	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	174.55 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	97.82 m³·mol⁻¹	ChemAxon
Polarizability	35.36 Å³	ChemAxon
Number of Rings	1	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

HMDB0028721

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111778

KNApSAcK ID

Not Available

Chemspider ID

5384366

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7021456

PDB ID

Not Available

ChEBI ID

73822

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Arginyltyrosine (CFc000009990)

MOL for CFc000009990 (Arginyltyrosine)

3D MOL for CFc000009990 (Arginyltyrosine)

3D SDF for CFc000009990 (Arginyltyrosine)

3D-SDF for CFc000009990 (Arginyltyrosine)

PDB for CFc000009990 (Arginyltyrosine)

3D PDB for CFc000009990 (Arginyltyrosine)

SMILES for CFc000009990 (Arginyltyrosine)

INCHI for CFc000009990 (Arginyltyrosine)

Structure for CFc000009990 (Arginyltyrosine)

3D Structure for CFc000009990 (Arginyltyrosine)