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CHEBI:167918 - L-beta-aspartyl-L-aspartic acid

ChEBI IDCHEBI:167918
ChEBI NameL-beta-aspartyl-L-aspartic acid
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12N2O7
Net Charge0
Average Mass248.191
Monoisotopic Mass248.06445
SMILESNC(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
InChIKeyKXAWLANLJYMEGB-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)
L-beta-aspartyl-L-aspartic acid (CHEBI:167918) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(3-amino-3-carboxypropanoyl)amino]butanedioic acid
Manual XrefsDatabases
HMDB0011163HMDB
241211ChemSpider