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CHEBI:20551 - mesalaminate(1−)
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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.
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Molfile
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