ChemFOnt: Showing chemical card for Glutaminyltyrosine (CFc000010078)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:24 UTC

Chemfont ID

CFc000010078

Molecule Identification

Common Name

Glutaminyltyrosine

Definition

Glutaminyltyrosine is a dipeptide composed of glutamine 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
(2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid	ChEBI
(2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-(4-hydroxyphenyl)propanoic acid	ChEBI
L-GLN-L-Tyr	ChEBI
Q-Y	ChEBI
Q-Y dipeptide	ChEBI
QY	ChEBI
QY dipeptide	ChEBI
(2S)-2-[(2S)-2-Amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoate	Generator
(2S)-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-3-(4-hydroxyphenyl)propanoate	Generator
GLN-Tyr	HMDB
L-Glutaminyl-L-tyrosine	HMDB
Glutaminyl-tyrosine	HMDB
Glutamine tyrosine dipeptide	HMDB
Glutamine-tyrosine dipeptide	HMDB
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoate	HMDB
Glutaminyltyrosine	HMDB, ChEBI

Chemical Formula

C₁₄H₁₉N₃O₅

Average Molecular Weight

309.322

Monoisotopic Molecular Weight

309.132470724

IUPAC Name

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

Traditional Name

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

CAS Registry Number

457662-02-1

SMILES

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

InChI Identifier

InChI=1S/C14H19N3O5/c15-10(5-6-12(16)19)13(20)17-11(14(21)22)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15H2,(H2,16,19)(H,17,20)(H,21,22)/t10-,11-/m0/s1

InChI Key

KGNSGRRALVIRGR-QWRGUYRKSA-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
Glutamine or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
N-acyl-amine
Benzenoid
Fatty acyl
Fatty amide
Monocyclic benzene moiety
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Primary carboxylic acid amide
Monocarboxylic acid or derivatives
Carboxylic acid
Primary aliphatic amine
Hydrocarbon derivative
Amine
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Primary amine
Organonitrogen compound
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028809)

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	0.5 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.2	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	3.42	ChemAxon
pKa (Strongest Basic)	8.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.74 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	77.01 m³·mol⁻¹	ChemAxon
Polarizability	30.89 Å³	ChemAxon
Number of Rings	1	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

HMDB0028809

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111855

KNApSAcK ID

Not Available

Chemspider ID

8148192

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9972600

PDB ID

Not Available

ChEBI ID

141432

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Glutaminyltyrosine (CFc000010078)

MOL for CFc000010078 (Glutaminyltyrosine)

3D MOL for CFc000010078 (Glutaminyltyrosine)

3D SDF for CFc000010078 (Glutaminyltyrosine)

3D-SDF for CFc000010078 (Glutaminyltyrosine)

PDB for CFc000010078 (Glutaminyltyrosine)

3D PDB for CFc000010078 (Glutaminyltyrosine)

SMILES for CFc000010078 (Glutaminyltyrosine)

INCHI for CFc000010078 (Glutaminyltyrosine)

Structure for CFc000010078 (Glutaminyltyrosine)

3D Structure for CFc000010078 (Glutaminyltyrosine)