CHEBI:183228 - (R)-goitrin

ChEBI IDCHEBI:183228
ChEBI Name(R)-goitrin
Stars
ASCII Name(R)-goitrin
DefinitionA 5-ethenyl-1,3-oxazolidine-2-thione that has R-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis.
Last Modified2 November 2021
SubmitterAdnan
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-/m1/s1
InChIKeyUZQVYLOFLQICCT-SCSAIBSYSA-N
Species of MetaboliteComponentSourceComments
Orychophragmus violaceus (ncbitaxon:71234) seed (BTO:0001226) PubMed (34627086)
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.
ChEBI Ontology
Outgoing Relation(s)
(R)-goitrin (CHEBI:183228) has role antiviral agent (CHEBI:22587)
(R)-goitrin (CHEBI:183228) has role plant metabolite (CHEBI:76924)
(R)-goitrin (CHEBI:183228) is a 5-ethenyl-1,3-oxazolidine-2-thione (CHEBI:183227)
(R)-goitrin (CHEBI:183228) is enantiomer of (S)-goitrin (CHEBI:80751)
Incoming Relation(s)
(RS)-goitrin (CHEBI:183226) has part (R)-goitrin (CHEBI:183228)
(S)-goitrin (CHEBI:80751) is enantiomer of (R)-goitrin (CHEBI:183228)
IUPAC Name 
(5R)-5-ethenyl-1,3-oxazolidine-2-thione
Synonyms  Source
epigoitrinChemIDplus
(R)-5-ethenyl-2-oxazolidinethioneChemIDplus
D-goitrinChemIDplus
(R)-5-vinyl-2-oxazolidinethioneChemIDplus
(5R)-5-vinyl-1,3-oxazolidine-2-thioneChEBI
BA 51-090278ChemIDplus
Manual XrefsDatabases
2297322ChemSpider
Registry NumbersSources
CAS:1072-93-1ChemIDplus
Citations