CHEBI:20551 - mesalaminate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mesalaminate(1−)
ChEBI ID CHEBI:20551
ChEBI ASCII Name mesalaminate(1-)
Definition A hydroxybenzoate that is the conjugate base of mesalamine, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C7H6NO3
Net Charge -1
Average Mass 152.12740
Monoisotopic Mass 152.03532
InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p-1
InChIKey KBOPZPXVLCULAV-UHFFFAOYSA-M
SMILES Nc1ccc(O)c(c1)C([O-])=O
ChEBI Ontology
Outgoing 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 mesalamine (CHEBI:6775) is conjugate acid of mesalaminate(1−) (CHEBI:20551)
IUPAC Name
5-amino-2-hydroxybenzoate
Synonyms Sources
5-amino-2-hydroxybenzoate UniProt
5-aminosalicylate ChEBI
5-aminosalicylate anion ChEBI
5-aminosalicylate(1−) ChEBI
mesalaminate ChEBI
mesalaminate anion ChEBI
Manual Xref Database
c0732 UM-BBD
View more database links
Registry Numbers Types Sources
8144503 Reaxys Registry Number Reaxys
8144503 Beilstein Registry Number Beilstein
Last Modified
17 June 2018