(Q105010335)

English

[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(Methylsulfanyl)butyl glucosinolate

1 reference

based on heuristic

inferred from SMILES

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate

1 reference

based on heuristic

inferred from SMILES

mass

421.053494316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-Methylthiobutyl glucosinolate

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based on heuristic

inferred from InChIKey

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C₁₂H₂₃NO₉S₃

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canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCSC

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isomeric SMILES

CSCCCC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

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found in taxon

Brassica oleracea

1 reference

stated in

Seasonal variation in glucosinolate content in Brassica oleracea crops grown in northwestern Spain

Brassica rapa

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stated in

Variation of glucosinolates in vegetable crops of Brassica rapa

Fibigia clypeata

1 reference

stated in

Some glucosinolates of Farsetia aegyptia and Farsetia ramosissima

Farsetia ramosissima

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stated in

Some glucosinolates of Farsetia aegyptia and Farsetia ramosissima

Pringlea antiscorbutica

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stated in

Glucosinolates in the subantarctic crucifer Kerguelen cabbage (Pringlea antiscorbutica).

Farsetia stylosa

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stated in

Some glucosinolates of Farsetia aegyptia and Farsetia ramosissima

radish

3 references

stated in

Isolation of 4-methylthio-3-butenyl glucosinolate from Raphanus sativus sprouts (kaiware daikon) and its redox properties.

stated in

Phytochemical composition and biological activity of 8 varieties of radish (Raphanus sativus L.) sprouts and mature taproots

stated in

Root Glucosinolate Profiles for Screening of Radish (Raphanus sativus L.) Genetic Resources

Identifiers

InChI

InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8-/t7-,9+,10-,11-,12+/m0/s1

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InChIKey

GKUMMDFLKGFCKH-HXWUKASPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105010335)

[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-5-methylsulfanyl-N-sulfooxypentanimidothioate

Statements

Identifiers

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