Benzylisothiocyanate-lysine
Showing entry for Benzylisothiocyanate-lysine
Identification
- PhytoHub ID
- PHUB002957
- Name
- Benzylisothiocyanate-lysine
- Systematic Name
- Not Available
- Synonyms
- BITC-Lys
- CAS Number
- Not Available
- Average Mass
- 280.324
- Monoisotopic Mass
- 280.142307132
- Chemical Formula
- C14H20N2O4
- IUPAC Name
- Not Available
- InChI Key
- CKGCFBNYQJDIGS-STGVRZAANA-N
- InChI Identifier
InChI=1/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/s2
- SMILES
N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(O)=O
- Structure
Structure for Benzylisothiocyanate-lysine
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- N-containing compound metabolites
- Class
- Glucosinolate and isothiocyanate metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Glucotropaeolin | N-containing compounds | Glucosinolates | Not Available | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Glucotropaeolin | Garden cress | Vegetables, Leaf vegetables | Publications | Show | |
| Glucotropaeolin | Horseradish | Herbs and Spices | Publications | Show | |
| Glucotropaeolin | Radish | Vegetables, Root vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Glucotropaeolin | Benzylisothiocyanate-lysine | human | plasma | Not Available | Not Available | Not Available | Not Available | C14H20N2O4 | 280.142307132 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|