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CHEBI:133739 - pyroglutamylglutaminate

ChEBI IDCHEBI:133739
ChEBI Namepyroglutamylglutaminate
Stars
DefinitionA peptide anion that is the conjugate base of pyroglutamylglutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified17 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC10H14N3O5
Net Charge-1
Average Mass256.238
Monoisotopic Mass256.09389
SMILESNC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)[O-]
InChIInChI=1S/C10H15N3O5/c11-7(14)3-1-6(10(17)18)13-9(16)5-2-4-8(15)12-5/h5-6H,1-4H2,(H2,11,14)(H,12,15)(H,13,16)(H,17,18)/p-1/t5-,6-/m0/s1
InChIKeyILAITOFTZJRIFJ-WDSKDSINSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
pyroglutamylglutaminate (CHEBI:133739) has role human metabolite (CHEBI:77746)
pyroglutamylglutaminate (CHEBI:133739) is a peptide anion (CHEBI:60334)
pyroglutamylglutaminate (CHEBI:133739) is conjugate base of pyroglutamylglutamine (CHEBI:88956)
Incoming Relation(s)
pyroglutamylglutamine (CHEBI:88956) is conjugate acid of pyroglutamylglutaminate (CHEBI:133739)
IUPAC Name 
(2S)-5-amino-5-oxo-2-[(5-oxo-L-prolyl)amino]pentanoate
Synonyms  Source
5-oxoprolylglutaminateChEBI
L-pyroglutamyl-L-glutaminateChEBI
L-p-Glu-L-Gln(1−)ChEBI
5-oxo-L-prolyl-L-glutaminateChEBI
p-Glu-Gln(1−)ChEBI