CHEBI:17530 - L-arogenic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name L-arogenic acid
ChEBI ID CHEBI:17530
ChEBI ASCII Name L-arogenic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13081, CHEBI:6190, CHEBI:21238
Supplier Information
Download Molfile XML SDF
Formula C10H13NO5
Net Charge 0
Average Mass 227.21396
Monoisotopic Mass 227.07937
InChI InChI=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
InChIKey MIEILDYWGANZNH-DSQUFTABSA-N
SMILES N[C@@H](CC1(C=CC(O)C=C1)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid ChemIDplus
L-Arogenate KEGG COMPOUND
L-Arogenic acid KEGG COMPOUND
Pretyrosine KEGG COMPOUND
Manual Xrefs Databases
C00007338 KNApSAcK
C00826 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
4458841 Beilstein Registry Number Beilstein
53078-86-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014