(S)-goitrin (CHEBI:80751)

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ChEBI Name	(S)-goitrin

ChEBI ID	CHEBI:80751

ChEBI ASCII Name	(S)-goitrin

Definition	A 5-ethenyl-1,3-oxazolidine-2-thione that has S-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

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Formula

C5H7NOS

Net Charge

Average Mass

129.180

Monoisotopic Mass

129.02484

InChI

InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1

InChIKey

UZQVYLOFLQICCT-BYPYZUCNSA-N

SMILES

[H][C@@]1(CNC(=S)O1)C=C

Metabolite of Species	Details
Isatis tinctoria (NCBI:txid161756)	Found in Root (BTO:0001188). See: PubMed

Roles Classification
Biological Role(s):	antiviral agent A substance that destroys or inhibits replication of viruses. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antithyroid drug A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.

Application(s):	antithyroid drug A drug used to treat hyperthyroidism by reducing the excessive production of thyroid hormones.

ChEBI Ontology
Outgoing	(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	(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	Sources
(−)-5-vinyl-2-oxazolidinethione	ChemIDplus
(5S)-5-ethenyl-2-oxazolidinethione	ChEBI
(S)-(−)-goitrin	ChEBI
(S)-5-ethenyl-2-oxazolidinethione	ChemIDplus
(S)-5-vinyloxazolidine-2-thione	ChEBI
goitrin	UniProt
goitrin	ChemIDplus
L-5-vinyl-2-oxazolidinethione	ChEBI
L-5-vinyl-2-thiooxazolidone	ChEBI
L-goitrin	ChEBI

Registry Number	Type	Source
500-12-9	CAS Registry Number	ChemIDplus

Last Modified

02 November 2021