(Q105211317)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

But-3-enylglucosinolate

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

373.050123188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-Butenylglucosinolate

1 reference

based on heuristic

inferred from InChI

1-S-[(1Z)-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₉NO₉S₂

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canonical SMILES

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

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isomeric SMILES

C=CCC/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

Arabidopsis thaliana

1 reference

stated in

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

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

Coincya monensis

1 reference

stated in

Chemotaxonomic study of seed glucosinolate composition in Coincya Rouy (Brassicaceae)

Coincya rupestris

1 reference

stated in

Chemotaxonomic study of seed glucosinolate composition in Coincya Rouy (Brassicaceae)

Farsetia ramosissima

1 reference

stated in

Some glucosinolates of Farsetia aegyptia and Farsetia ramosissima

Pringlea antiscorbutica

1 reference

stated in

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

Schouwia purpurea

1 reference

stated in

What defense doesSchouwia purpurea (Cruciferae) have against the desert locust? : Secondary compounds and nutritive value

Isatis tinctoria

1 reference

stated in

Novel indole-type glucosinolates from woad (Isatis tinctoria L.)

Capparidastrum frondosum

1 reference

stated in

Phytochemical investigation of Egyptian Capparis species

Cynophalla flexuosa

1 reference

stated in

Phytochemical investigation of Egyptian Capparis species

Farsetia stylosa

1 reference

stated in

Some glucosinolates of Farsetia aegyptia and Farsetia ramosissima

Capsella bursa-pastoris

1 reference

stated in

Glucosinolate spectrum of some AlgerianCruciferae

radish

2 references

stated in

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

stated in

Effect of light conditions on the contents of glucosinolates in germinating seeds of white mustard, red radish, white radish, and rapeseed.

Identifiers

InChI

InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/b12-7-/t6-,8-,9+,10-,11+/m0/s1

0 references

InChIKey

PLYQBXHVYUJNQB-CXSRUOLESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PLYQBXHVYUJNQB-CXSRUOLESA-N

(Q105211317)

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

Statements

Identifiers

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