CHEBI:73688 - Ac-Asp-Glu

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ChEBI Name Ac-Asp-Glu
ChEBI ID CHEBI:73688
Definition A dipeptide composed of N-acetyl-L-aspartic acid and L-glutamic acid joined by a peptide linkage.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H16N2O8
Net Charge 0
Average Mass 304.25330
Monoisotopic Mass 304.091
InChI InChI=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
InChIKey OPVPGKGADVGKTG-BQBZGAKWSA-N
SMILES CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 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 acid ChemIDplus
Synonyms Sources
N-Ac-D-E ChEBI
N-Acetyl-1-aspartylglutamic acid ChemIDplus
N-acetyl-L-Asp-L-Glu ChEBI
N-acetylaspartylglutamic acid ChEBI
NAAG KEGG COMPOUND
Manual Xrefs Databases
C12270 KEGG COMPOUND
N-Acetylaspartylglutamic_acid Wikipedia
View more database links
Registry Number Type Source
3106-85-2 CAS Registry Number ChemIDplus
Last Modified
05 July 2018