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(Q115946482)
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English
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxybut-3-enimidothioate
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] N-sulfooxybut-3-enimidothioate
1 reference
based on heuristic
inferred from SMILES
mass
359.034473124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Sinigrin
1 reference
based on heuristic
inferred from InChI
sinigrin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₇NO₉S₂
0 references
canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC=C
0 references
isomeric SMILES
C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
Arabidopsis thaliana
1 reference
stated in
The Arabidopsis Epithiospecifier Protein Promotes the Hydrolysis of Glucosinolates to Nitriles and Influences Trichoplusia ni Herbivory
Capsella bursa-pastoris
1 reference
stated in
Glucosinolate spectrum of some AlgerianCruciferae
Identifiers
InChI
InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/t5-,7-,8+,9-,10+/m1/s1
0 references
InChIKey
PHZOWSSBXJXFOR-HOQQJHGQSA-N
0 references
PubChem CID
2723733
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
1068026
1 reference
stated in
UniChem
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