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CHEBI:157756 - 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate

ChEBI IDCHEBI:157756
ChEBI Name4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
Stars
DefinitionA dioxo monocarboxylic acid anion that is the conjugate base of 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid resulting from the deprotonation of the carboxy group. Major species at pH 7.3.
Last Modified9 November 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H8NO5
Net Charge-1
Average Mass222.176
Monoisotopic Mass222.04080
SMILESNc1c(O)cccc1C(=O)CC(=O)C(=O)[O-]
InChIInChI=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)/p-1
InChIKeyYCJNYHCCOXVYAF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate (CHEBI:157756) is a dioxo monocarboxylic acid anion (CHEBI:35979)
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)
Incoming Relation(s)
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)
IUPAC Name 
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoate
UniProt Name  Source
4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoateUniProt
Manual XrefsDatabases
CPD-11552MetaCyc
Citations