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CHEBI:20551 - mesalaminate(1−)

ChEBI IDCHEBI:20551
ChEBI Namemesalaminate(1−)
Stars
ASCII Namemesalaminate(1-)
DefinitionA hydroxybenzoate that is the conjugate base of mesalamine, arising from deprotonation of the carboxy group.
Last Modified17 June 2018
DownloadsMolfile
FormulaC7H6NO3
Net Charge-1
Average Mass152.129
Monoisotopic Mass152.03532
SMILESNc1ccc(O)c(C(=O)[O-])c1
InChIInChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1
InChIKeyKBOPZPXVLCULAV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
mesalaminate(1−) (CHEBI:20551) has functional parent salicylate (CHEBI:30762)
mesalaminate(1−) (CHEBI:20551) is a aminobenzoate (CHEBI:22494)
mesalaminate(1−) (CHEBI:20551) is a hydroxybenzoate (CHEBI:24675)
mesalaminate(1−) (CHEBI:20551) is conjugate base of mesalamine (CHEBI:6775)
Incoming Relation(s)
mesalamine (CHEBI:6775) is conjugate acid of mesalaminate(1−) (CHEBI:20551)
IUPAC Name 
5-amino-2-hydroxybenzoate
Synonyms  Source
5-aminosalicylate anionChEBI
5-aminosalicylateChEBI
mesalaminate anionChEBI
mesalaminateChEBI
5-aminosalicylate(1−)ChEBI
UniProt Name  Source
5-amino-2-hydroxybenzoateUniProt
Manual XrefsDatabases
c0732UM-BBD
Registry NumbersSources
Reaxys:8144503Reaxys