Azatyrosine (CHEBI:176926)

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	Azatyrosine

ChEBI ID	CHEBI:176926

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H10N2O3

Net Charge

Average Mass

182.179

Monoisotopic Mass

182.06914

InChI

InChI=1S/C8H10N2O3/c9-7(8(12)13)3-5-1-2-6(11)4-10-5/h1-2,4,7,11H,3,9H2,(H,12,13)/t7-/m0/s1

InChIKey

YOZSEGPJAXTSFZ-ZETCQYMHSA-N

SMILES

OC(=O)[C@@H](N)CC1=NC=C(O)C=C1

Metabolite of Species	Details
Streptococcus mutans (NCBI:txid1309)	Found in biofilm (BTO:0002690). of strain Streptococcus mutans UA159 [NCBI:txid210007] 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 ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Azatyrosine (CHEBI:176926) is a L-α-amino acid (CHEBI:15705)

IUPAC Name

(2S)-2-amino-3-(5-hydroxypyridin-2-yl)propanoic acid

Registry Number	Type	Source
58525-82-9	CAS Registry Number	ChemIDplus