ChemFOnt: Showing chemical card for Tyrosylglycine (CFc000010358)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:46 UTC

Chemfont ID

CFc000010358

Molecule Identification

Common Name

Tyrosylglycine

Definition

Tyrosylglycine is a dipeptide composed of asparagine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Tyrosylglycine has been identified in the human placenta (PMID: 32033212 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
L-Tyr-gly	ChEBI
Tyrosyl-glycine	ChEBI
YG	ChEBI
L-Tyr-ile	HMDB
L-Tyrosylglycine	HMDB
N-L-Tyrosylglycine	HMDB
N-Tyrosylglycine	HMDB
Tyr-ile	HMDB
Tyrosine glycine dipeptide	HMDB
Tyrosine-glycine dipeptide	HMDB
Y-g dipeptide	HMDB
YG dipeptide	HMDB

Chemical Formula

C₁₁H₁₄N₂O₄

Average Molecular Weight

238.243

Monoisotopic Molecular Weight

238.095356939

IUPAC Name

2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetic acid

Traditional Name

[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetic acid

CAS Registry Number

673-08-5

SMILES

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

InChI Identifier

InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1

InChI Key

HPYDSVWYXXKHRD-VIFPVBQESA-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
Alpha-amino acid amide
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Monocyclic benzene moiety
Fatty amide
Fatty acyl
Benzenoid
Amino acid or derivatives
Carboxamide group
Carboxylic acid salt
Amino acid
Secondary carboxylic acid amide
Monocarboxylic acid or derivatives
Carboxylic acid
Organic salt
Hydrocarbon derivative
Primary aliphatic amine
Organic nitrogen compound
Amine
Organic oxygen compound
Carbonyl group
Organic oxide
Organonitrogen compound
Organooxygen compound
Organic zwitterion
Primary amine
Organopnictogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

dipeptide (CHEBI:74990 )

Functional Ontology

Not Available

Placenta (HMDB: HMDB0029105)

Source

Endogenous

Endogenous (HMDB: HMDB0029105)

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	1.51 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-2.6	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	3.51	ChemAxon
pKa (Strongest Basic)	8.02	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	112.65 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	59.9 m³·mol⁻¹	ChemAxon
Polarizability	23.76 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

HMDB0029105

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112109

KNApSAcK ID

Not Available

Chemspider ID

5384746

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7021853

PDB ID

Not Available

ChEBI ID

74990

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Tyrosylglycine (CFc000010358)

MOL for CFc000010358 (Tyrosylglycine)

3D MOL for CFc000010358 (Tyrosylglycine)

3D SDF for CFc000010358 (Tyrosylglycine)

3D-SDF for CFc000010358 (Tyrosylglycine)

PDB for CFc000010358 (Tyrosylglycine)

3D PDB for CFc000010358 (Tyrosylglycine)

SMILES for CFc000010358 (Tyrosylglycine)

INCHI for CFc000010358 (Tyrosylglycine)

Structure for CFc000010358 (Tyrosylglycine)

3D Structure for CFc000010358 (Tyrosylglycine)