Structure via PubChem · Public domain (PubChem)
glucoraphanin
Sign in to saveGlucoraphanin is a glucosinolate found in broccoli, mustard and other cruciferous vegetables.
Chemical data
- Formula
- C12H23NO10S3
- Molecular weight
- 437.5 g/mol
- IUPAC name
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
- SMILES
- CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
- InChIKey
- GMMLNKINDDUDCF-RFOBZYEESA-N
- XLogP
- -2.1
- Polar surface area
- 236 Ų
- H-bond donors
- 5
- H-bond acceptors
- 13
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- glucosinolate
- Mass
- 437.0484089359999
Show 4 more facts
- canonical SMILES
- CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
- chemical formula
- C₁₂H₂₂NO₁₀S₃
- isomeric SMILES
- CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
- found in taxon
- Raphanus sativus
Sources (2)
via Wikidata · CC0
~2 min read
Encyclopedic overview
4 sectionsContents
- Synthesis
- Research
- Plant breeding
- References
Glucoraphanin is a glucosinolate found in broccoli, mustard and other cruciferous vegetables.
Glucoraphanin is converted to sulforaphane by the enzyme myrosinase. In plants, sulforaphane deters insect predators and acts as a selective antibiotic.
Excerpted from Wikipedia’s “glucoraphanin” article, available under the CC BY-SA 4.0 licence.