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CHEBI:169649 - Asparaginyl-Glutamine

ChEBI IDCHEBI:169649
ChEBI NameAsparaginyl-Glutamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N4O5
Net Charge0
Average Mass260.250
Monoisotopic Mass260.11207
SMILESNC(=O)CCC(NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N4O5/c10-4(3-7(12)15)8(16)13-5(9(17)18)1-2-6(11)14/h4-5H,1-3,10H2,(H2,11,14)(H2,12,15)(H,13,16)(H,17,18)
InChIKeyQCWJKJLNCFEVPQ-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)
Asparaginyl-Glutamine (CHEBI:169649) is a dipeptide (CHEBI:46761)
IUPAC Name 
5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoic acid
Manual XrefsDatabases
HMDB0028729HMDB
16568260ChemSpider