CHEBI:27593 - 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid

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ChEBI Name 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid ChEBI ID CHEBI:27593 Definition A dioxo monocarboxylic acid that is benzene in which the hydrogens at position 1, 2 and 3 are replaced by 3-carboxy-3-oxopropanoyl, amino and hydroxy groups, respectively. It is a by-product of tryptophan metabolism. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1762, CHEBI:20284 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H9NO5 Net Charge 0 Average Mass 223.184 Monoisotopic Mass 223.04807 InChI InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16) InChIKey YCJNYHCCOXVYAF-UHFFFAOYSA-N SMILES NC1=C(O)C=CC=C1C(=O)CC(=O)C(O)=O Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Rattus norvegicus (NCBI:txid10116) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). View more via ChEBI Ontology ChEBI Ontology Outgoing 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid (CHEBI:27593) has role rat metabolite (CHEBI:86264) 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid (CHEBI:27593) is a dioxo monocarboxylic acid (CHEBI:35951) 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid (CHEBI:27593) is a phenols (CHEBI:33853) 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid (CHEBI:27593) is a substituted aniline (CHEBI:48975) 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid (CHEBI:27593) is conjugate acid of 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate (CHEBI:157756) Incoming 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate (CHEBI:157756) is conjugate base of 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid (CHEBI:27593) IUPAC Name 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid Synonym Source 2-amino-3-hydroxy-α,γ-dioxobenzenebutanoic acid HMDB Manual Xrefs Databases C05645 KEGG COMPOUND HMDB0004083 HMDB View more database links Registry Number Type Source 857760-67-9 CAS Registry Number HMDB Citations Types Sources 28900168 PubMed citation Europe PMC 29933684 PubMed citation Europe PMC Last Modified 09 November 2020