Tyrosyl-Aspartate (CHEBI:168375)

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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	Tyrosyl-Aspartate

ChEBI ID	CHEBI:168375

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16N2O6

Net Charge

Average Mass

296.279

Monoisotopic Mass

296.10084

InChI

InChI=1S/C13H16N2O6/c14-9(5-7-1-3-8(16)4-2-7)12(19)15-10(13(20)21)6-11(17)18/h1-4,9-10,16H,5-6,14H2,(H,15,19)(H,17,18)(H,20,21)

InChIKey

QZOSVNLXLSNHQK-UHFFFAOYSA-N

SMILES

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

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	Tyrosyl-Aspartate (CHEBI:168375) is a dipeptide (CHEBI:46761)

IUPAC Name

2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid