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(Q105254309)
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English
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 8-methylsulfanyl-N-sulfooxyoctanimidothioate
group of stereoisomers with the chemical formula C₁₅H₂₉NO₉S₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
463.100444508
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₉NO₉S₃
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canonical SMILES
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCCCCCCSC
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found in taxon
Arabidopsis thaliana
2 references
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
Identifiers
InChI
InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)
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InChIKey
SJHVRBSHKTUXLG-UHFFFAOYSA-N
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PubChem CID
74960823
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
77893322
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309210
1 reference
InChIKey
SJHVRBSHKTUXLG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0304242
1 reference
based on heuristic
inferred from InChIKey
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