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CHEBI:76935 - Ac-Asp-Glu-Glu(4−)

ChEBI IDCHEBI:76935
ChEBI NameAc-Asp-Glu-Glu(4−)
Stars
ASCII NameAc-Asp-Glu-Glu(4-)
DefinitionA peptide anion obtained by deprotonation of the four carboxy groups of Ac-Asp-Glu-Glu; major species at pH 7.3.
Last Modified2 August 2016
SubmitterKAX
DownloadsMolfile
FormulaC16H19N3O11
Net Charge-4
Average Mass429.338
Monoisotopic Mass429.10415
SMILESCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C16H23N3O11/c1-7(20)17-10(6-13(25)26)15(28)18-8(2-4-11(21)22)14(27)19-9(16(29)30)3-5-12(23)24/h8-10H,2-6H2,1H3,(H,17,20)(H,18,28)(H,19,27)(H,21,22)(H,23,24)(H,25,26)(H,29,30)/p-4/t8-,9-,10-/m0/s1
InChIKeyXNHNFLZMOUNVIW-GUBZILKMSA-J
ChEBI Ontology
Outgoing Relation(s)
Ac-Asp-Glu-Glu(4−) (CHEBI:76935) is a peptide anion (CHEBI:60334)
Ac-Asp-Glu-Glu(4−) (CHEBI:76935) is conjugate base of Ac-Asp-Glu-Glu (CHEBI:77064)
Incoming Relation(s)
Ac-Asp-Glu-Glu (CHEBI:77064) is conjugate acid of Ac-Asp-Glu-Glu(4−) (CHEBI:76935)
IUPAC Name 
(2S)-2-({N-[(2S)-2-acetamido-3-carboxylatopropanoyl]-5-oxidanidyl-5-oxidanylidene-L-norvalyl}amino)pentanedioate
Synonym  Source
N-acetyl-L-α-aspartyl-L-glutamyl-L-glutamateSUBMITTER
UniProt Name  Source
N-acetyl-L-aspartyl-L-glutamyl-L-glutamateUniProt
Citations