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CHEBI:73688 - Ac-Asp-Glu

ChEBI IDCHEBI:73688
ChEBI NameAc-Asp-Glu
Stars
DefinitionA dipeptide composed of N-acetyl-L-aspartic acid and L-glutamic acid joined by a peptide linkage.
Last Modified5 July 2018
Submittermwilliams
DownloadsMolfile
FormulaC11H16N2O8
Net Charge0
Average Mass304.255
Monoisotopic Mass304.09067
SMILESCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
InChIKeyOPVPGKGADVGKTG-BQBZGAKWSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
Ac-Asp-Glu (CHEBI:73688) has functional parent N-acetyl-L-aspartic acid (CHEBI:21547)
Ac-Asp-Glu (CHEBI:73688) has functional parent L-glutamic acid (CHEBI:16015)
Ac-Asp-Glu (CHEBI:73688) has role human metabolite (CHEBI:77746)
Ac-Asp-Glu (CHEBI:73688) is a dipeptide (CHEBI:46761)
Ac-Asp-Glu (CHEBI:73688) is conjugate acid of Ac-Asp-Glu(3−) (CHEBI:76931)
Incoming Relation(s)
Ac-Asp-Glu(3−) (CHEBI:76931) is conjugate base of Ac-Asp-Glu (CHEBI:73688)
IUPAC Name 
N-acetyl-L-α-aspartyl-L-glutamic acid
INN  Source
isospaglumic acidChemIDplus
Synonyms  Source
N-acetyl-L-Asp-L-GluChEBI
N-Ac-D-EChEBI
N-Acetyl-1-aspartylglutamic acidChemIDplus
NAAGKEGG COMPOUND
N-acetylaspartylglutamic acidChEBI
Manual XrefsDatabases
N-Acetylaspartylglutamic_acidWikipedia
C12270KEGG COMPOUND
Registry NumbersSources
CAS:3106-85-2ChemIDplus
CAS:3106-85-2KEGG COMPOUND