3-Methylthiopropyl-desulfoglucosinolate (BioCAD00000003695)

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Metabolite Card

Formula: C11H21NO6S2 (327.081)
SMILES: [C@@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)S/C(/CCCSC)=N\\O

Synonyms [en]

3-Methylthiopropyl-desulfoglucosinolate; [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] ~{N}-hydroxy-4-methylsulfanyl-butanimidothioate; Desulfoglucoibervirin

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

3-Methylthiopropyl-desulfoglucosinolate. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000003695). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

3-methylthiopropyl-desulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3-methylthiopropyl-desulfoglucosinolate can be found in a number of food items such as caraway, lemon thyme, wakame, and papaya, which makes 3-methylthiopropyl-desulfoglucosinolate a potential biomarker for the consumption of these food products.

Entity Information

DBLinks

Other DBLinks
  • ChEBI: ChEBI:80985
  • KEGG: C17244
  • Metlin: METLIN_64488
  • Coconut NaturalProduct: CNP0325013.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R08668 2.4.1.195 UDP-glucose:4-methylthiobutylthiohydroximate S-beta-D-glucosyltransferase
KEGG:R08669 2.8.2.- 3'-phosphoadenylyl-sulfate:3-methylthiopropyl-desulfoglucosinolate sulfotransferase
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Organism Source

Taxonomy Source

Pathway Synthetic

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