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CHEBI:180657 - 3-amino-2,4-dihydroxybenzoate

ChEBI IDCHEBI:180657
ChEBI Name3-amino-2,4-dihydroxybenzoate
Stars
DefinitionAn aminobenzoate that is the conjugate base of 3-amino-2,4-dihydroxybenzoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified30 November 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H6NO4
Net Charge-1
Average Mass168.128
Monoisotopic Mass168.03023
SMILESNc1c(O)ccc(C(=O)[O-])c1O
InChIInChI=1S/C7H7NO4/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,9-10H,8H2,(H,11,12)/p-1
InChIKeyGBAYSGRTRJSJIK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3-amino-2,4-dihydroxybenzoate (CHEBI:180657) is a aminobenzoate (CHEBI:22494)
3-amino-2,4-dihydroxybenzoate (CHEBI:180657) is a dihydroxybenzoate (CHEBI:36084)
3-amino-2,4-dihydroxybenzoate (CHEBI:180657) is conjugate base of 3-amino-2,4-dihydroxybenzoic acid (CHEBI:184386)
Incoming Relation(s)
3-amino-2,4-dihydroxybenzoic acid (CHEBI:184386) is conjugate acid of 3-amino-2,4-dihydroxybenzoate (CHEBI:180657)
IUPAC Name 
3-amino-2,4-dihydroxybenzoate
Synonym  Source
2,4-dihydroxy-3-aminobenzoateChEBI
UniProt Name  Source
3-amino-2,4-dihydroxybenzoateUniProt
Manual XrefsDatabases
CPD-23563MetaCyc
Citations