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CHEBI:18198 - 4-amino-4-deoxychorismic acid

ChEBI IDCHEBI:18198
ChEBI Name4-amino-4-deoxychorismic acid
Stars
DefinitionA dicarboxylic acid comprising chorismic acid having its 4-hydroxy group replaced by an amino group.
Secondary ChEBI IDCHEBI:1943
Last Modified15 February 2017
DownloadsMolfile
FormulaC10H11NO5
Net Charge0
Average Mass225.200
Monoisotopic Mass225.06372
SMILESC=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1N)C(=O)O
InChIInChI=1S/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKeyOIUJHGOLFKDBSU-HTQZYQBOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-amino-4-deoxychorismic acid (CHEBI:18198) has functional parent chorismic acid (CHEBI:17333)
4-amino-4-deoxychorismic acid (CHEBI:18198) is a polyunsaturated dicarboxylic acid (CHEBI:134531)
4-amino-4-deoxychorismic acid (CHEBI:18198) is conjugate acid of 4-amino-4-deoxychorismate(1−) (CHEBI:58406)
Incoming Relation(s)
4-amino-4-deoxychorismate(1−) (CHEBI:58406) is conjugate base of 4-amino-4-deoxychorismic acid (CHEBI:18198)
IUPAC Name 
(3R,4R)-4-amino-3-[(1-carboxyethenyl)oxy]cyclohexa-1,5-diene-1-carboxylic acid
Synonym  Source
ADCKEGG COMPOUND
Manual XrefsDatabases
C11355KEGG COMPOUND
C00000730KNApSAcK
Registry NumbersSources
Reaxys:4317064Reaxys