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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-amino-4-deoxychorismic acid
ChEBI ID CHEBI:18198
Definition A dicarboxylic acid comprising chorismic acid having its 4-hydroxy group replaced by an amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1943
Supplier Information
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Formula C10H11NO5
Net Charge 0
Average Mass 225.19808
Monoisotopic Mass 225.064
InChI InChI=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
InChIKey OIUJHGOLFKDBSU-HTQZYQBOSA-N
SMILES N[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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
ADC KEGG COMPOUND
Database Links Databases
C00000730 KNApSAcK
C11355 KEGG COMPOUND
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Registry Number Type Source
4317064 Reaxys Registry Number Reaxys
Last Modified
15 February 2017