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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:9171 - skatole
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ChEBI Ontology
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ChEBI Name
skatole
ChEBI ID
CHEBI:9171
Definition
A methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of
L
-tryptophan in the mammalian digestive tract.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H9N
Net Charge
0
Average Mass
131.17450
Monoisotopic Mass
131.07350
InChI
InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChIKey
ZFRKQXVRDFCRJG-UHFFFAOYSA-N
SMILES
Cc1c[nH]c2ccccc12
Roles Classification
Biological Role
(s):
mammalian metabolite
Any animal metabolite produced during a metabolic reaction in mammals.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
skatole (
CHEBI:9171
)
has role
human metabolite (
CHEBI:77746
)
skatole (
CHEBI:9171
)
has role
mammalian metabolite (
CHEBI:75768
)
skatole (
CHEBI:9171
)
is a
methylindole (
CHEBI:38460
)
IUPAC Name
3-methyl-1
H
-indole
Synonyms
Sources
3-methyl-4,5-benzopyrrole
ChemIDplus
3-Methylindole
KEGG COMPOUND
β-methylindole
NIST Chemistry WebBook
Skatol
ChemIDplus
Skatole
KEGG COMPOUND
skatole
UniProt
Manual Xrefs
Databases
C00001430
KNApSAcK
C08313
KEGG COMPOUND
HMDB0000466
HMDB
LSM-3655
LINCS
Skatole
Wikipedia
SKATOLE
MetaCyc
View more database links
Registry Numbers
Types
Sources
111296
Reaxys Registry Number
Reaxys
396961
Gmelin Registry Number
Gmelin
83-34-1
CAS Registry Number
KEGG COMPOUND
83-34-1
CAS Registry Number
NIST Chemistry WebBook
83-34-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
16656260
PubMed citation
Europe PMC
22950976
PubMed citation
Europe PMC
24358366
PubMed citation
Europe PMC
7487051
PubMed citation
Europe PMC
Last Modified
24 January 2019