FComEx: Cinnamoylglycine (PC000971)

Record Information

Version

1.0

Creation date

2015-10-09 22:33:39 UTC

Update date

2017-01-19 02:36:43 UTC

FoodComEx ID

PC000971

FoodDB Record

FDB028325

Chemical Information

Name

Cinnamoylglycine

Description

Cinnamoylglycine is known as a urinary metabolite in man (PMID 649712) although whether it is formed de novo from plant cinnamate or is a plant product excreted unchanged has not been conclusively demonstrated. When cinnamoylglycine occurs naturally it is probably a food constituent excreted unchanged. It is not found when small quantities (0.5-6 g) of cinnamic acid are fed to man, but by analogy with animal experiments may be produced when much larger quantities are given. (PMID 6743769) [HMDB]

CAS Number

16534-24-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Cinnamoylglycine	hmdb
N-(1-oxo-3-phenyl-2-propen-1-yl)-Glycine	hmdb
N-(1-oxo-3-phenyl-2-propenyl)-Glycine	hmdb
N-cinnamoyl-Glycine	hmdb
N-Cinnamoylglycine	hmdb
N-Cinnamylglycine	hmdb

Chemical Formula

C11H11NO3

IUPAC name

2-[(2E)-3-phenylprop-2-enamido]acetic acid

InChI Identifier

InChI=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+

InChI Key

YAADMLWHGMUGQL-VOTSOKGWSA-N

Isomeric SMILES

OC(=O)CNC(=O)\C=C\C1=CC=CC=C1

Average Molecular Weight

205.2099

Monoisotopic Molecular Weight

205.073893223

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids

Alternative Parents