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CHEBI:80751 - (S)-goitrin

ChEBI IDCHEBI:80751
ChEBI Name(S)-goitrin
Stars
ASCII Name(S)-goitrin
DefinitionA 5-ethenyl-1,3-oxazolidine-2-thione that has S-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis.
Last Modified2 November 2021
DownloadsMolfile
FormulaC5H7NOS
Net Charge0
Average Mass129.184
Monoisotopic Mass129.02483
SMILES[H][C@]1(C=C)CNC(=S)O1
InChIInChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1
InChIKeyUZQVYLOFLQICCT-BYPYZUCNSA-N
Species of MetaboliteComponentSourceComments
Isatis tinctoria (ncbitaxon:161756) Root (BTO:0001188) PubMed (31918015)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antiviral agent  A substance that destroys or inhibits replication of viruses.
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
Application:
antithyroid drug  A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.
ChEBI Ontology
Outgoing Relation(s)
(S)-goitrin (CHEBI:80751) has role antithyroid drug (CHEBI:50671)
(S)-goitrin (CHEBI:80751) has role antiviral agent (CHEBI:22587)
(S)-goitrin (CHEBI:80751) has role plant metabolite (CHEBI:76924)
(S)-goitrin (CHEBI:80751) is a 5-ethenyl-1,3-oxazolidine-2-thione (CHEBI:183227)
(S)-goitrin (CHEBI:80751) is enantiomer of (R)-goitrin (CHEBI:183228)
Incoming Relation(s)
(RS)-goitrin (CHEBI:183226) has part (S)-goitrin (CHEBI:80751)
(R)-goitrin (CHEBI:183228) is enantiomer of (S)-goitrin (CHEBI:80751)
IUPAC Name 
(5S)-5-ethenyl-1,3-oxazolidine-2-thione
Synonyms  Source
goitrinChemIDplus
(S)-5-ethenyl-2-oxazolidinethioneChemIDplus
L-goitrinChEBI
(−)-5-vinyl-2-oxazolidinethioneChemIDplus
(5S)-5-ethenyl-2-oxazolidinethioneChEBI
(S)-5-vinyloxazolidine-2-thioneChEBI
UniProt Name  Source
goitrinUniProt
Manual XrefsDatabases
C16817KEGG COMPOUND
5885349ChemSpider
CN101863850Patent
CN101445490Patent
Registry NumbersSources
CAS:500-12-9ChemIDplus
Citations