ChemFOnt: Showing chemical card for Seryltyrosine (CFc000010304)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:42 UTC

Chemfont ID

CFc000010304

Molecule Identification

Common Name

Seryltyrosine

Definition

Seryltyrosine is a dipeptide composed of serine 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
L-Ser-L-tyr	ChEBI
S-Y	ChEBI
SY	ChEBI
L-Seryl-L-tyrosine	HMDB
N-L-Seryl-L-tyrosine	HMDB
N-Seryltyrosine	HMDB
S-Y dipeptide	HMDB
SY dipeptide	HMDB
Ser-tyr	HMDB
Serine tyrosine dipeptide	HMDB
Serine-tyrosine dipeptide	HMDB
Serinyl-tyrosine	HMDB
Serinyltyrosine	HMDB
Seryl-tyrosine	HMDB
Seryltyrosine	ChEBI

Chemical Formula

C₁₂H₁₆N₂O₅

Average Molecular Weight

268.269

Monoisotopic Molecular Weight

268.105921623

IUPAC Name

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

Traditional Name

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

CAS Registry Number

21435-27-8

SMILES

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

InChI Identifier

InChI=1S/C12H16N2O5/c13-9(6-15)11(17)14-10(12(18)19)5-7-1-3-8(16)4-2-7/h1-4,9-10,15-16H,5-6,13H2,(H,14,17)(H,18,19)/t9-,10-/m0/s1

InChI Key

MALNXHYEPCSPPU-UWVGGRQHSA-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
Serine or derivatives
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Amino acid or derivatives
Carboxamide group
Carboxylic acid salt
Amino acid
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Amine
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organic oxide
Organopnictogen compound
Organic salt
Organic zwitterion
Primary alcohol
Primary amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

dipeptide (CHEBI:73652 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0029051)

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	3.23 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-3.1	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	3.36	ChemAxon
pKa (Strongest Basic)	7.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	132.88 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	65.94 m³·mol⁻¹	ChemAxon
Polarizability	26.42 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

HMDB0029051

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112057

KNApSAcK ID

Not Available

Chemspider ID

5384758

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7021865

PDB ID

Not Available

ChEBI ID

73652

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Seryltyrosine (CFc000010304)

MOL for CFc000010304 (Seryltyrosine)

3D MOL for CFc000010304 (Seryltyrosine)

3D SDF for CFc000010304 (Seryltyrosine)

3D-SDF for CFc000010304 (Seryltyrosine)

PDB for CFc000010304 (Seryltyrosine)

3D PDB for CFc000010304 (Seryltyrosine)

SMILES for CFc000010304 (Seryltyrosine)

INCHI for CFc000010304 (Seryltyrosine)

Structure for CFc000010304 (Seryltyrosine)

3D Structure for CFc000010304 (Seryltyrosine)