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

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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 ZINC000100028895 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H11NO5 Net Charge 0 Average Mass 225.19808 Monoisotopic Mass 225.06372 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 ) View more via ChEBI Ontology 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 Manual Xrefs Databases C00000730 KNApSAcK C11355 KEGG COMPOUND View more database links Registry Number Type Source 4317064 Reaxys Registry Number Reaxys Last Modified 15 February 2017