Threoninyl-Tyrosine (CHEBI:169281)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Threoninyl-Tyrosine

ChEBI ID	CHEBI:169281

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18N2O5

Net Charge

Average Mass

282.296

Monoisotopic Mass

282.12157

InChI

InChI=1S/C13H18N2O5/c1-7(16)11(14)12(18)15-10(13(19)20)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)

InChIKey

WCRFXRIWBFRZBR-UHFFFAOYSA-N

SMILES

OC(C(N)C(=O)NC(CC1=CC=C(O)C=C1)C(O)=O)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	Threoninyl-Tyrosine (CHEBI:169281) is a dipeptide (CHEBI:46761)

IUPAC Name

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