5-Hexenyl glucosinolate
PubChem CID: 131752364
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| Compound Synonyms | 5-Hexenyl glucosinolate, 1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-6-heptenimidate] |
|---|---|
| Topological Polar Surface Area | 200.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | ZCZQFWPILSDOII-NTEUORMPSA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 1-Thio-b-D-glucopyranose 1-[N-(sulfooxy)-6-heptenimidate] |
| Heavy Atom Count | 25.0 |
| Compound Name | 5-Hexenyl glucosinolate |
| Description | Present in horseradish (Armoracia lapathifolia) and Japanese horseradish (Wasabia japonica). 5-Hexenyl glucosinolate is found in many foods, some of which are horseradish, wasabi, brassicas, and radish. |
| Exact Mass | 401.081 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 401.081 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 401.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyhept-6-enimidothioate |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C13H23NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h2,8,10-13,15-18H,1,3-7H2,(H,19,20,21)/b14-9+ |
| Smiles | C=CCCCC/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O |
| Xlogp | 0.1 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C13H23NO9S2 |
- 1. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:fooddb_chem_all