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CHEBI:168535 - Asparaginyl-Aspartic acid

ChEBI IDCHEBI:168535
ChEBI NameAsparaginyl-Aspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H13N3O6
Net Charge0
Average Mass247.207
Monoisotopic Mass247.08044
SMILESNC(=O)CC(N)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C8H13N3O6/c9-3(1-5(10)12)7(15)11-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)
InChIKeyHZYFHQOWCFUSOV-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-Aspartic acid (CHEBI:168535) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(2,4-diamino-4-oxobutanoyl)amino]butanedioic acid
Manual XrefsDatabases
16568257ChemSpider
HMDB0028727HMDB