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CHEBI:21239 - arogenic acid

ChEBI IDCHEBI:21239
ChEBI Namearogenic acid
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC10H13NO5
Net Charge0
Average Mass227.216
Monoisotopic Mass227.07937
SMILESNC(CC1(C(=O)O)C=CC(O)C=C1)C(=O)O
InChIInChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)
InChIKeyMIEILDYWGANZNH-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
arogenic acid (CHEBI:21239) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming Relation(s)
L-arogenic acid (CHEBI:17530) is a arogenic acid (CHEBI:21239)
IUPAC Name 
1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Synonyms  Source
arogenic acidChemIDplus
pretyrosineChemIDplus
α-amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acidChemIDplus
Registry NumbersSources
CAS:53078-86-7ChemIDplus