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CHEBI:137598 - 4-aminosalicylate(1−)

ChEBI IDCHEBI:137598
ChEBI Name4-aminosalicylate(1−)
Stars
ASCII Name4-aminosalicylate(1-)
DefinitionAn aminobenzoate that is the conjugate base of 4-aminosalicylic acid, obtained by deprotonation of the carboxy group. Major miscrospecies at pH 7.3.
Last Modified17 August 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC7H6NO3
Net Charge-1
Average Mass152.129
Monoisotopic Mass152.03532
SMILESNc1ccc(C(=O)[O-])c(O)c1
InChIInChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)/p-1
InChIKeyWUBBRNOQWQTFEX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-aminosalicylate(1−) (CHEBI:137598) has functional parent salicylate (CHEBI:30762)
4-aminosalicylate(1−) (CHEBI:137598) is a aminobenzoate (CHEBI:22494)
4-aminosalicylate(1−) (CHEBI:137598) is a hydroxybenzoate (CHEBI:24675)
4-aminosalicylate(1−) (CHEBI:137598) is conjugate base of 4-aminosalicylic acid (CHEBI:27565)
Incoming Relation(s)
4-aminosalicylic acid (CHEBI:27565) is conjugate acid of 4-aminosalicylate(1−) (CHEBI:137598)
UniProt Name  Source
4-aminosalicylateUniProt
Manual XrefsDatabases
CPD-8817MetaCyc
Registry NumbersSources
Reaxys:3906055Reaxys
Citations