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CHEBI:169086 - gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine

ChEBI IDCHEBI:169086
ChEBI Namegamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H15N3O7
Net Charge0
Average Mass301.255
Monoisotopic Mass301.09100
SMILESNC(CCC(=O)NC(Cn1ccc(=O)o1)C(=O)O)C(=O)O
InChIInChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20)
InChIKeyXXZPYJHULCBZPT-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)
gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine (CHEBI:169086) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-amino-5-[[1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
35014953ChemSpider
HMDB0040515HMDB