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CHEBI:27539 - isatin
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ChEBI Name
isatin
ChEBI ID
CHEBI:27539
Definition
An indoledione that is the 2,3-diketo derivative of indole.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:43625, CHEBI:5978, CHEBI:24879
Supplier Information
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Formula
C8H5NO2
Net Charge
0
Average Mass
147.13080
Monoisotopic Mass
147.03203
InChI
InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey
JXDYKVIHCLTXOP-UHFFFAOYSA-N
SMILES
O=C1Nc2ccccc2C1=O
Roles Classification
Biological Role
(s):
EC 1.4.3.4 (monoamine oxidase) inhibitor
An EC 1.4.3.* (oxidoreductase acting on donor CH-NH
2
group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isatin (
CHEBI:27539
)
has role
EC 1.4.3.4 (monoamine oxidase) inhibitor (
CHEBI:38623
)
isatin (
CHEBI:27539
)
has role
plant metabolite (
CHEBI:76924
)
isatin (
CHEBI:27539
)
is a
indoledione (
CHEBI:24793
)
Incoming
1-methyl-5-(2-phenoxymethylpyrrolidine-1-sulfonyl)-1
H
-indole-2,3-dione (
CHEBI:44274
)
has functional parent
isatin (
CHEBI:27539
)
5-(6-aminohexanamido)isatin (
CHEBI:59639
)
has functional parent
isatin (
CHEBI:27539
)
5-aminoisatin (
CHEBI:59593
)
has functional parent
isatin (
CHEBI:27539
)
6-(3'-methylbuten-2-yl)isatin (
CHEBI:141376
)
has functional parent
isatin (
CHEBI:27539
)
N
-acetylisatin (
CHEBI:16050
)
has functional parent
isatin (
CHEBI:27539
)
IUPAC Name
1
H
-indole-2,3-dione
Synonyms
Sources
indole-2,3-dione
NIST Chemistry WebBook
Isatin
KEGG COMPOUND
ISATIN
PDBeChem
isatin
UniProt
Manual Xrefs
Databases
C00026981
KNApSAcK
C11129
KEGG COMPOUND
DB02095
DrugBank
Isatin
Wikipedia
ISATIN
MetaCyc
ISN
PDBeChem
View more database links
Registry Numbers
Types
Sources
165206
Gmelin Registry Number
Gmelin
383659
Reaxys Registry Number
Reaxys
91-56-5
CAS Registry Number
KEGG COMPOUND
91-56-5
CAS Registry Number
NIST Chemistry WebBook
91-56-5
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15876476
PubMed citation
Europe PMC
16236622
PubMed citation
Europe PMC
1650428
PubMed citation
Europe PMC
17330218
PubMed citation
Europe PMC
17447419
PubMed citation
Europe PMC
19834914
PubMed citation
Europe PMC
23744416
PubMed citation
Europe PMC
26846278
PubMed citation
Europe PMC
9510091
PubMed citation
Europe PMC
Last Modified
22 June 2016