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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:16881 - 1
H
-indole
Main
ChEBI Ontology
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ChEBI Name
1
H
-indole
ChEBI ID
CHEBI:16881
ChEBI ASCII Name
1H-indole
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:5900, CHEBI:43537, CHEBI:14444, CHEBI:24794
Supplier Information
Download
Molfile
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Molfile
Molfile
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Formulae
C8H7N
C8H7N
Net Charge
0
Average Mass
117.14790
Monoisotopic Mass
117.05785
InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey
SIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
c1cc2ccccc2[nH]1
Metabolite of Species
Details
Escherichia coli
(NCBI:txid562)
See:
PubMed
Roles Classification
Biological Role
(s):
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in
Escherichia coli
.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
(via
indole
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1
H
-indole (
CHEBI:16881
)
has role
Escherichia coli
metabolite (
CHEBI:76971
)
1
H
-indole (
CHEBI:16881
)
is a
indole (
CHEBI:35581
)
1
H
-indole (
CHEBI:16881
)
is a
polycyclic heteroarene (
CHEBI:38180
)
1
H
-indole (
CHEBI:16881
)
is tautomer of
3
H
-indole (
CHEBI:35579
)
Incoming
(
R
)-3-(5-benzyloxyindol-3-yl)lactic acid (
CHEBI:55530
)
has functional parent
1
H
-indole (
CHEBI:16881
)
(
R
)-indole-3-lactic acid (
CHEBI:55528
)
has functional parent
1
H
-indole (
CHEBI:16881
)
5-isoprenylindole-3-carboxylate β-
D
-glycosyl ester (
CHEBI:156389
)
has functional parent
1
H
-indole (
CHEBI:16881
)
N
-(β-
D
-glucopyranosyl)indole (
CHEBI:140485
)
has functional parent
1
H
-indole (
CHEBI:16881
)
xenocyloin (
CHEBI:156365
)
has functional parent
1
H
-indole (
CHEBI:16881
)
2-methyl-1
H
-indole (
CHEBI:49402
)
has parent hydride
1
H
-indole (
CHEBI:16881
)
3
H
-indole (
CHEBI:35579
)
is tautomer of
1
H
-indole (
CHEBI:16881
)
IUPAC Name
1
H
-indole
Synonyms
Sources
2,3-Benzopyrrole
KEGG COMPOUND
Indol
NIST Chemistry WebBook
INDOLE
PDBeChem
Indole
KEGG COMPOUND
indole
UniProt
Manual Xrefs
Databases
C00001418
KNApSAcK
C00463
KEGG COMPOUND
DB04532
DrugBank
IND
PDBeChem
View more database links
Registry Numbers
Types
Sources
107693
Beilstein Registry Number
Beilstein
120-72-9
CAS Registry Number
KEGG COMPOUND
120-72-9
CAS Registry Number
ChemIDplus
120-72-9
CAS Registry Number
NIST Chemistry WebBook
3477
Gmelin Registry Number
Gmelin
Last Modified
26 March 2018