(Q105371878)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

407.037844252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

beta-D-Glucopyranose, 1-thio-, 1-(4-(methylthio)-N-(sulfoxy)butanimidate)

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₁H₂₁NO₉S₃

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canonical SMILES

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

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isomeric SMILES

CSCCC/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

1 reference

stated in

Variation of glucosinolates in vegetable crops of Brassica rapa

Erysimum

1 reference

stated in

Biosynthesis of 3-methylthiopropylglucosinolate and 3-methylsulfinylpropylglucosinolate in wallflower Cheiranthus kewensis

Arabidopsis thaliana

4 references

stated in

Variation of glucosinolate accumulation among different organs and developmental stages of Arabidopsis thaliana

stated in

Benzoic acid glucosinolate esters and other glucosinolates from Arabidopsis thaliana

stated in

CYP83A1 and CYP83B1, two nonredundant cytochrome P450 enzymes metabolizing oximes in the biosynthesis of glucosinolates in Arabidopsis

stated in

Identification of primary and secondary metabolites with phosphorus status-dependent abundance inArabidopsis, and of the transcription factor PHR1 as a major regulator of metabolic changes during phosphorus limitation

Identifiers

InChI

InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7+/t6-,8-,9-,10+,11+/m0/s1

0 references

InChIKey

ZCZCVJVUJGULMO-PIKWHUDBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105371878)

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

Statements

Identifiers

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