EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191161 - Pyroglu-tyr

Default Structure
ChEBI IDCHEBI:191161
ChEBI NamePyroglu-tyr
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O5
Net Charge0
Average Mass292.291
Monoisotopic Mass292.10592
SMILESO=C1CCC(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)N1
InChIInChI=1S/C14H16N2O5/c17-9-3-1-8(2-4-9)7-11(14(20)21)16-13(19)10-5-6-12(18)15-10/h1-4,10-11,17H,5-7H2,(H,15,18)(H,16,19)(H,20,21)
InChIKeyILJOYLTXYCZXTB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pyroglu-tyr (CHEBI:191161) is a peptide (CHEBI:16670)
IUPAC Name 
3-(4-hydroxyphenyl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid
Manual XrefsDatabases
10466085ChemSpider