sinigrin , CAS No.S613588, Agonist of TAS2R16;Agonist of TAS2R38

Item Number

S613588

Grouped product items
SKU	Size	Availability	Price	Qty
S613588-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90
S613588-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,001.90

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Basic Description

Synonyms	Sinigrin\|Myronate\|534-69-0\|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate\|Myronic acid\|Allyl glucosinolate\|SCHEMBL325165\|1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-3-butenimidate], 9CI\|beta-D-Glucopyranose
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of TAS2R16;Agonist of TAS2R38

Associated Targets

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate
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)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
InChi Key	PHZOWSSBXJXFOR-PTGZALFTSA-N
Canonical SMILES	C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Isomeric SMILES	C=CC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
PubChem CID	6911854

PubChem CID

RCSB PDB Ligand

Solution Calculators

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Basic Description