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CHEBI:17530 - L-arogenic acid

ChEBI IDCHEBI:17530
ChEBI NameL-arogenic acid
Stars
ASCII NameL-arogenic acid
Secondary ChEBI IDsCHEBI:6190, CHEBI:13081, CHEBI:21238
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H13NO5
Net Charge0
Average Mass227.216
Monoisotopic Mass227.07937
SMILESN[C@@H](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)/t6?,7-,10?/m0/s1
InChIKeyMIEILDYWGANZNH-DSQUFTABSA-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)
L-arogenic acid (CHEBI:17530) is a arogenic acid (CHEBI:21239)
L-arogenic acid (CHEBI:17530) is conjugate acid of L-arogenate(1−) (CHEBI:58180)
Incoming Relation(s)
L-arogenate(1−) (CHEBI:58180) is conjugate base of L-arogenic acid (CHEBI:17530)
IUPAC Name 
1-[(2S)-2-amino-2-carboxyethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Synonyms  Source
L-ArogenateKEGG COMPOUND
L-Arogenic acidKEGG COMPOUND
PretyrosineKEGG COMPOUND
alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acidChemIDplus
Manual XrefsDatabases
C00826KEGG COMPOUND
C00007338KNApSAcK
Registry NumbersSources
Beilstein:4458841Beilstein
CAS:53078-86-7KEGG COMPOUND