Allyl isothiocyanate-N-acetyl-L-cysteine
Showing entry for Allyl isothiocyanate-N-acetyl-L-cysteine
Identification
- PhytoHub ID
- PHUB002877
- Name
- Allyl isothiocyanate-N-acetyl-L-cysteine
- Systematic Name
- Not Available
- Synonyms
- 3-isothiocyanatoprop-1-ene-N-acetylcysteine
- AITC-NAC
- Allyl isothiocyanate-N-acetylcysteine
- CAS Number
- Not Available
- Average Mass
- Not Available
- Monoisotopic Mass
- Not Available
- Chemical Formula
- Not Available
- IUPAC Name
- Not Available
- InChI Key
- Not Available
- InChI Identifier
- Not Available
- SMILES
- Not Available
- Structure
- No structure
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 | |
|---|---|---|---|---|
| Allyl isothiocyanate | N-containing compounds | Isothiocyanates | Not Available | Show Food Phytochemical |
| Sinigrin | N-containing compounds | Glucosinolates | Not Available | Show Food Phytochemical |
| Kale and daikon radish glucosinolates | 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 | |||
|---|---|---|---|---|---|
| Sinigrin | Broccoli | Vegetables, Cabbages | Publications | Show | |
| Sinigrin | Brussel sprouts | Vegetables, Cabbages | Publications | Show | |
| Sinigrin | Cabbage, White | Vegetables, Cabbages | Publications | Show | |
| Sinigrin | Cabbage, red | Vegetables, Cabbages | Publications | Show | |
| Sinigrin | Capers | Herbs and Spices | Publications | Show | |
| Sinigrin | Cauliflower | Vegetables, Cabbages | Publications | Show | |
| Sinigrin | Common cabbage | Vegetables, Cabbages | Publications | Show | |
| Allyl isothiocyanate | Horseradish | Herbs and Spices | Publications | Show | |
| Sinigrin | Horseradish | Herbs and Spices | Publications | Show | |
| Sinigrin | Kale | Vegetables, Cabbages | Publications | Show | |
| Allyl isothiocyanate | Mustard | Condiments and seasonings | Publications | Show | |
| Sinigrin | Mustard | Condiments and seasonings | Publications | Show | |
| Sinigrin | Savoy cabbage | Vegetables, Cabbages | Publications | Show | |
| Sinigrin | Wasabi | Herbs and Spices | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Allyl isothiocyanate | Allyl isothiocyanate-N-acetyl-L-cysteine | human | plasma, urine | Not Available | Not Available | Not Available | Not Available | Detailed Intervention Studies | |||||
| Sinigrin | Allyl isothiocyanate-N-acetyl-L-cysteine | human | plasma, urine | Not Available | Not Available | Not Available | Not Available | Detailed Intervention Studies | |||||
| Kale and daikon radish glucosinolates | Allyl isothiocyanate-N-acetyl-L-cysteine | human | urine | Not Available | Not Available | Not Available | Not Available | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|