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CHEBI:168573 - Threoninyl-Asparagine

ChEBI IDCHEBI:168573
ChEBI NameThreoninyl-Asparagine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H15N3O5
Net Charge0
Average Mass233.224
Monoisotopic Mass233.10117
SMILESCC(O)C(N)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-3(12)6(10)7(14)11-4(8(15)16)2-5(9)13/h3-4,6,12H,2,10H2,1H3,(H2,9,13)(H,11,14)(H,15,16)
InChIKeyUQTNIFUCMBFWEJ-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)
Threoninyl-Asparagine (CHEBI:168573) is a dipeptide (CHEBI:46761)
IUPAC Name 
4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoic acid
Manual XrefsDatabases
16568387ChemSpider
HMDB0029056HMDB