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

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ChEBI Name gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine
ChEBI ID CHEBI:169086
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H15N3O7
Net Charge 0
Average Mass 301.255
Monoisotopic Mass 301.09100
InChI InChI=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)
InChIKey XXZPYJHULCBZPT-UHFFFAOYSA-N
SMILES O1N(CC(NC(=O)CCC(N)C(O)=O)C(O)=O)C=CC1=O
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014953 ChemSpider
HMDB0040515 HMDB
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