CHEBI:27539 - isatin

ChEBI IDCHEBI:27539
ChEBI Nameisatin
Stars
DefinitionAn indoledione that is the 2,3-diketo derivative of indole.
Secondary ChEBI IDsCHEBI:5978, CHEBI:24879, CHEBI:43625
Last Modified22 June 2016
DownloadsMolfile
FormulaC8H5NO2
Net Charge0
Average Mass147.133
Monoisotopic Mass147.03203
SMILESO=C1Nc2ccccc2C1=O
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKeyJXDYKVIHCLTXOP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
EC 1.4.3.4 (monoamine oxidase) inhibitor  An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 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.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
N-acetylisatin (CHEBI:16050) has functional parent isatin (CHEBI:27539)
1-methyl-5-(2-phenoxymethylpyrrolidine-1-sulfonyl)-1H-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)
IUPAC Name 
1H-indole-2,3-dione
Synonyms  Source
IsatinKEGG COMPOUND
indole-2,3-dioneNIST Chemistry WebBook
ISATINPDBeChem
UniProt Name  Source
isatinUniProt
Manual XrefsDatabases
C11129KEGG COMPOUND
C11129KEGG COMPOUND
ISNPDBeChem
DB02095DrugBank
ISATINMetaCyc
IsatinWikipedia
C00026981KNApSAcK
Registry NumbersSources
Gmelin:165206Gmelin
Reaxys:383659Reaxys
CAS:91-56-5KEGG COMPOUND
CAS:91-56-5ChemIDplus
CAS:91-56-5NIST Chemistry WebBook
Citations