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CHEBI:71057 - 3-pyridylacetylglycine

Default Structure
ChEBI IDCHEBI:71057
ChEBI Name3-pyridylacetylglycine
Stars
DefinitionAn N-acylglycine in which the acyl group is specified as 3-pyridylacetyl.
Last Modified12 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC9H10N2O3
Net Charge0
Average Mass194.190
Monoisotopic Mass194.06914
SMILESO=C(O)CNC(=O)Cc1cccnc1
InChIInChI=1S/C9H10N2O3/c12-8(11-6-9(13)14)4-7-2-1-3-10-5-7/h1-3,5H,4,6H2,(H,11,12)(H,13,14)
InChIKeyYVAORMCUQHSLMO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-pyridylacetylglycine (CHEBI:71057) has role metabolite (CHEBI:25212)
3-pyridylacetylglycine (CHEBI:71057) is a N-acylglycine (CHEBI:16180)
3-pyridylacetylglycine (CHEBI:71057) is a pyridines (CHEBI:26421)
IUPAC Names 
N-(pyridin-3-ylacetyl)glycine
[(pyridin-3-ylacetyl)amino]acetic acid
Registry NumbersSources
Reaxys:477084Reaxys
Citations