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CHEBI:76931 - Ac-Asp-Glu(3−)

ChEBI IDCHEBI:76931
ChEBI NameAc-Asp-Glu(3−)
Stars
ASCII NameAc-Asp-Glu(3-)
DefinitionA peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3.
Last Modified21 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC11H13N2O8
Net Charge-3
Average Mass301.231
Monoisotopic Mass301.06884
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)/p-3/t6-,7-/m0/s1
InChIKeyOPVPGKGADVGKTG-BQBZGAKWSA-K
ChEBI Ontology
Outgoing Relation(s)
Ac-Asp-Glu(3−) (CHEBI:76931) is a peptide anion (CHEBI:60334)
Ac-Asp-Glu(3−) (CHEBI:76931) is conjugate base of Ac-Asp-Glu (CHEBI:73688)
Incoming Relation(s)
Ac-Asp-Glu (CHEBI:73688) is conjugate acid of Ac-Asp-Glu(3−) (CHEBI:76931)
IUPAC Name 
(2S)-2-{[(2S)-2-acetamido-3-carboxylatopropanoyl]amino}pentanedioate
Synonym  Source
N-acetylaspartylglutamateSUBMITTER
UniProt Name  Source
N-acetyl-L-aspartyl-L-glutamateUniProt
Citations