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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:17231 -
m
-cresol
Main
ChEBI Ontology
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ChEBI Name
m
-cresol
ChEBI ID
CHEBI:17231
ChEBI ASCII Name
m-cresol
Definition
A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:41602, CHEBI:11771, CHEBI:1476, CHEBI:19988
Supplier Information
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Wikipedia
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Formula
C7H8O
Net Charge
0
Average Mass
108.13780
Monoisotopic Mass
108.05751
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
InChIKey
RLSSMJSEOOYNOY-UHFFFAOYSA-N
SMILES
Cc1cccc(O)c1
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
fungicide
A substance used to destroy fungal pests.
(via
aromatic fungicide
)
Application
(s):
fungicide
A substance used to destroy fungal pests.
(via
aromatic fungicide
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
m
-cresol (
CHEBI:17231
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
m
-cresol (
CHEBI:17231
)
is a
cresol (
CHEBI:25399
)
Incoming
4-(methylsulfanyl)-
m
-cresol (
CHEBI:38681
)
has functional parent
m
-cresol (
CHEBI:17231
)
4-nitro-
m
-cresol (
CHEBI:38683
)
has functional parent
m
-cresol (
CHEBI:17231
)
amylmetacresol (
CHEBI:48213
)
has functional parent
m
-cresol (
CHEBI:17231
)
metolcarb (
CHEBI:38537
)
has functional parent
m
-cresol (
CHEBI:17231
)
IUPAC Name
3-methylphenol
Synonyms
Sources
1-hydroxy-3-methylbenzene
NIST Chemistry WebBook
3-Cresol
KEGG COMPOUND
3-Hydroxytoluene
KEGG COMPOUND
3-methylphenol
UniProt
m-Cresol
KEGG COMPOUND
M-CRESOL
PDBeChem
m
-Kresol
NIST Chemistry WebBook
m
-methylphenol
NIST Chemistry WebBook
meta
-cresol
NIST Chemistry WebBook
metacresol
ChemIDplus
Manual Xrefs
Databases
C01467
KEGG COMPOUND
c0282
UM-BBD
CPD-112
MetaCyc
CRS
PDBeChem
D04951
KEGG DRUG
DB01776
DrugBank
HMDB0002048
HMDB
M-cresol
Wikipedia
View more database links
Registry Numbers
Types
Sources
101411
Gmelin Registry Number
Gmelin
108-39-4
CAS Registry Number
ChemIDplus
108-39-4
CAS Registry Number
NIST Chemistry WebBook
506719
Beilstein Registry Number
Beilstein
506719
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15687000
PubMed citation
Europe PMC
23190556
PubMed citation
Europe PMC
Last Modified
21 December 2018