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CHEBI:68616 - N-cinnamoylglycine

ChEBI IDCHEBI:68616
ChEBI NameN-cinnamoylglycine
Stars
ASCII NameN-cinnamoylglycine
DefinitionAn N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl).
Last Modified4 October 2016
Submittermwilliams
DownloadsMolfile
FormulaC11H11NO3
Net Charge0
Average Mass205.213
Monoisotopic Mass205.07389
SMILESO=C(O)CNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C11H11NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)(H,14,15)/b7-6+
InChIKeyYAADMLWHGMUGQL-VOTSOKGWSA-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)
N-cinnamoylglycine (CHEBI:68616) has role metabolite (CHEBI:25212)
N-cinnamoylglycine (CHEBI:68616) is a N-acylglycine (CHEBI:16180)
N-cinnamoylglycine (CHEBI:68616) is conjugate acid of N-cinnamoylglycinate (CHEBI:133605)
Incoming Relation(s)
N-cinnamoylglycinate (CHEBI:133605) is conjugate base of N-cinnamoylglycine (CHEBI:68616)
IUPAC Name 
N-[(2E)-3-phenylprop-2-enoyl]glycine
Synonyms  Source
N-(1-oxo-3-phenyl-2-propenyl)-GlycineChemIDplus
N-CinnamylglycineHMDB
Manual XrefsDatabases
HMDB0011621HMDB
Registry NumbersSources
Reaxys:3201590Reaxys
CAS:16534-24-0ChemIDplus
Citations