| 2D Structure | |
| CID | 6911854 |
| 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 | None |
| Isomeric SMILES | None |
| Molecular Formula | C10H17NO9S2 |
| Molecular Weight | 359.4 |
| synonyms | ['Myronate', '[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate', 'CHEBI:79317', 'NSC-90774', 'NSC-407279', '(((E)-(1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)sulfanyl)but-3-en-1-ylidene)amino)oxy)sulfonic acid', '((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1E)-N-sulfooxybut-3-enimidothioate', '{[(E)-(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}but-3-en-1-ylidene)amino]oxy}sulfonic acid', 'DTXSID30427761', 'DTXCID701769161', 'Glucopyranose, 1-thio-, 1-(3-butenohydroximate) NO-(hydrogen sulfate), monopotassium salt, beta-D-', '223-545-8', '3952-98-5', '50UM64RMBJ', 'Sinigrin', '534-69-0', 'Myronic acid', 'Allyl glucosinolate', 'NSC90774', 'SCHEMBL29639606', 'GTPL12456', '.beta.-D-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)-3-butenimidate]', '1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-3-butenimidate], 9CI', 'beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate)', '[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-N-sulfooxybut-3-enimidothioate'] |
From Pubchem