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CHEBI:168375 - Tyrosyl-Aspartate

ChEBI IDCHEBI:168375
ChEBI NameTyrosyl-Aspartate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O6
Net Charge0
Average Mass296.279
Monoisotopic Mass296.10084
SMILESNC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=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)
InChIKeyQZOSVNLXLSNHQK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tyrosyl-Aspartate (CHEBI:168375) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
Manual XrefsDatabases
14526368ChemSpider
HMDB0029101HMDB