| 2D Structure | |
| CID | 9548620 |
| IUPAC Name | [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxypent-4-enimidothioate |
| InChI | InChI=1S/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/b12-7+/t6-,8-,9+,10-,11+/m1/s1 |
| InChI Key | PLYQBXHVYUJNQB-BZVDQRPCSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C11H19NO9S2 |
| Molecular Weight | 373.4 |
| synonyms | ['Gluconapin', '19041-09-9', '[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxypent-4-enimidothioate', 'CHEBI:79319', '((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (1E)-N-sulfooxypent-4-enimidothioate', 'RefChem:663108', '3-Butenyl glucosinolate', 'Butenyl glucosinolate', '1-Thio-beta-D-glucopyranose 1-(N-(sulfooxy)-4-pentenimidate)', 'Gluconapin , HPLC Grade', 'SCHEMBL29352584', 'beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-4-pentenimidate)', 'MFCD09752808', 'Q63398656', '1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-4-pentenimidate], 9CI'] |
From Pubchem