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> Main
CHEBI:89830 - 5-methoxysalicylic acid
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ChEBI Name
5-methoxysalicylic acid
ChEBI ID
CHEBI:89830
Definition
A methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C8H8O4
Net Charge
0
Average Mass
168.148
Monoisotopic Mass
168.04226
InChI
InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey
IZZIWIAOVZOBLF-UHFFFAOYSA-N
SMILES
O(C)C1=CC(C(=O)O)=C(O)C=C1
Metabolite of Species
Details
Amycolatopsis
sp.
(NCBI:txid37632)
of strain Poz 14 See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-methoxysalicylic acid (
CHEBI:89830
)
has role
bacterial metabolite (
CHEBI:76969
)
5-methoxysalicylic acid (
CHEBI:89830
)
has role
human urinary metabolite (
CHEBI:84087
)
5-methoxysalicylic acid (
CHEBI:89830
)
is a
methoxysalicylic acid (
CHEBI:149777
)
IUPAC Name
2-hydroxy-5-methoxybenzoic acid
Synonyms
Sources
5-MeOSA
ChEBI
5-methoxy-2-hydroxybenzoic acid
ChemIDplus
5-
O
-methyl gentisic acid
ChEBI
6-hydroxy-
m
-anisic acid
ChemIDplus
acid5-methoxysalicylic
ChemIDplus
Manual Xrefs
Databases
5-Methoxysalicylic_acid
Wikipedia
FDB011959
FooDB
HMDB0001868
HMDB
View more database links
Registry Numbers
Types
Sources
2209647
Reaxys Registry Number
Reaxys
2612-02-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16833377
PubMed citation
Europe PMC
19309105
PubMed citation
Europe PMC
21840249
PubMed citation
Europe PMC
23841223
PubMed citation
Europe PMC
25503079
PubMed citation
Europe PMC
30993639
PubMed citation
Europe PMC
31728655
PubMed citation
Europe PMC
6319944
PubMed citation
Europe PMC
6694531
PubMed citation
Europe PMC
IND43762663
Agricola citation
Europe PMC
IND606763591
Agricola citation
Europe PMC
Last Modified
26 May 2020