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CHEBI:73827 - Asp-Gln

ChEBI IDCHEBI:73827
ChEBI NameAsp-Gln
Stars
DefinitionA dipeptide formed from L-α-aspartyl and L-glutamine residues.
Last Modified29 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC9H15N3O6
Net Charge0
Average Mass261.234
Monoisotopic Mass261.09609
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C9H15N3O6/c10-4(3-7(14)15)8(16)12-5(9(17)18)1-2-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/t4-,5-/m0/s1
InChIKeyGSMPSRPMQQDRIB-WHFBIAKZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Asp-Gln (CHEBI:73827) has role metabolite (CHEBI:25212)
Asp-Gln (CHEBI:73827) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-α-aspartyl-L-glutamine
Synonyms  Source
DQChEBI
aspartylglutamineChEBI
L-α-Asp-L-GlnChEBI
L-Asp-L-GlnChEBI
α-aspartylglutamineChEBI
Aspartyl-GlutamineHMDB
Manual XrefsDatabases
HMDB0028751HMDB
Registry NumbersSources
Reaxys:11620644Reaxys
CAS:13433-13-1ChEBI