(Q63398656)

English

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

chemical compound

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Statements

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

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

3-Butenylglucosinolate

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]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

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found in taxon

Arabidopsis thaliana

1 reference

stated in

HPLC Separation of Glucosinolates from Leaves and Seeds of Arabidopsis thaliana and Their Identification Using Thermospray Liquid Chramatography/Mass Spectrometry

Brassica campestris

1 reference

stated in

Glucosinolates in Seed of Swedish Brassica Crops

Brassica rapa

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stated in

Glucosinolates in Seed of Swedish Brassica Crops

stated in

Glucosinolates of wild and cultivated Brassica species

Brassica cretica

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stated in

Glucosinolates of wild and cultivated Brassica species

Brassica incana

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stated in

Glucosinolates of wild and cultivated Brassica species

Brassica insularis

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stated in

Glucosinolates of wild and cultivated Brassica species

Brassica juncea

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stated in

Fate of Singrin in Methanol/Ammonia/Water-Hexane Extraction of B. juncea Mustard Seed

stated in

Glucosinolate content of seedlings, tissue cultures, and regenerant plants of Brassica juncea (Indian mustard)

Brassica macrocarpa

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stated in

Glucosinolates of wild and cultivated Brassica species

Brassica montana

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stated in

Glucosinolates of wild and cultivated Brassica species

rapeseed

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stated in

Biosynthesis of 2-hydroxy-3-butenylglucosinolate and 3-butenylglucosinolate in Brassica napus

stated in

Glucosinolates in Seed of Swedish Brassica Crops

stated in

Separation and determination of intact glucosinolates in rapeseed by high-performance liquid chromatography

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The isolation and purification of indole glucosinolates from Brassica species

Brassica oleracea

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stated in

Glucosinolates of wild and cultivated Brassica species

Brassica rupestris

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stated in

Glucosinolates of wild and cultivated Brassica species

Carrichtera annua

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stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

Eremobium aegyptiacum

1 reference

stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

Erucaria cakiloidea

1 reference

stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

Fibigia macrocarpa

1 reference

stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

Isatis cappadocica

1 reference

stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

Isatis tinctoria

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stated in

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

Schimpera arabica

1 reference

stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

Sisymbrium septulatum

1 reference

stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

Stanleya pinnata

1 reference

stated in

Selenoglucosinolates in nature: Fact or myth?

Eruca sativa

1 reference

stated in

Naturally occurring glucosinolates in plant extracts of rocket salad (Eruca sativa L.) identified by liquid chromatography coupled with negative ion electrospray ionization and quadrupole ion-trap mass spectrometry

Hirschfeldia incana

1 reference

stated in

Distribution and chemotaxonomic significance of glucosinolates in certain Middle-Eastern cruciferae

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+/m1/s1

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InChIKey

PLYQBXHVYUJNQB-BZVDQRPCSA-N

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PubChem CID

9548620

1 reference

matched by identifier from

InChIKey

PLYQBXHVYUJNQB-BZVDQRPCSA-N

1 reference

MassBank accession ID

MSBNK-RIKEN-PR100426

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MSBNK-RIKEN-PR100883

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Human Metabolome Database ID

HMDB0038427

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PLYQBXHVYUJNQB-BZVDQRPCSA-N

(Q63398656)

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

Statements

Identifiers

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