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(Q110078580)
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English
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 6-methylsulfinyl-N-sulfooxyhexanimidothioate
group of stereoisomers with the chemical formula C₁₃H₂₅NO₁₀S₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
451.064059
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₅NO₁₀S₃
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canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCC[S+]([O-])C
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found in taxon
Erysimum asperum
2 references
stated in
3-Hydroxypropylglucosinolate, a new glucosinolate in seeds of Erysimum hieracifolium and Malcolmia maritima
stated in
ω-Methylthioalkylglucosinolates and some oxidized congeners in seeds of Erysimum rhaeticum
Arabidopsis thaliana
4 references
stated in
Variation of glucosinolate accumulation among different organs and developmental stages of Arabidopsis thaliana
stated in
Cytochrome p450 CYP79F1 from arabidopsis catalyzes the conversion of dihomomethionine and trihomomethionine to the corresponding aldoximes in the biosynthesis of aliphatic glucosinolates
stated in
Metabolic profiling of the Arabidopsis pkl mutant reveals selective derepression of embryonic traits
stated in
AtMetExpress development: a phytochemical atlas of Arabidopsis development
Malcolmia africana
1 reference
stated in
3-Hydroxypropylglucosinolate, a new glucosinolate in seeds of Erysimum hieracifolium and Malcolmia maritima
rapeseed
1 reference
stated in
Variation of glucosinolates in vegetable crops of Brassica rapa
Erysimum rhaeticum
1 reference
stated in
3-Hydroxypropylglucosinolate, a new glucosinolate in seeds of Erysimum hieracifolium and Malcolmia maritima
Identifiers
InChI
InChI=1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)
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InChIKey
HUCGRJSHMZWRQQ-UHFFFAOYSA-N
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PubChem CID
4479687
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HUCGRJSHMZWRQQ-UHFFFAOYSA-N
UniChem compound ID
49647381
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309206
1 reference
InChIKey
HUCGRJSHMZWRQQ-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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