Sulforaphane-cysteine-glycine
Showing entry for Sulforaphane-cysteine-glycine
Identification
- PhytoHub ID
- PHUB002865
- Name
- Sulforaphane-cysteine-glycine
- Systematic Name
- 2-[[2-amino-3-(4-methylsulfinylbutylcarbamothioylsulfanyl)propanoyl]amino]acetic acid
- Synonyms
- 1-isothiocyanato-4-(methylsulfinyl)butane-cysteine-glycine
- CAS Number
- Not Available
- Average Mass
- 355.49
- Monoisotopic Mass
- 355.06941969
- Chemical Formula
- C11H21N3O4S3
- IUPAC Name
- Not Available
- InChI Key
- XXNFGCPBPYXDGU-HXNGOWOSSA-N
- InChI Identifier
InChI=1S/C11H21N3O4S3/c1-21(18)5-3-2-4-13-11(19)20-7-8(12)10(17)14-6-9(15)16/h8H,2-7,12H2,1H3,(H,13,19)(H,14,17)(H,15,16)/t8-,21+/m0/s1
- SMILES
[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])SC(=S)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[S@](=O)C([H])([H])[H]
- Structure
Structure for Sulforaphane-cysteine-glycine
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
- FooDB (Foods)
- FDB093758
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 | |
|---|---|---|---|---|
| Glucoraphanin | N-containing compounds | Glucosinolates | Not Available | Show Food Phytochemical |
| Sulforaphane | N-containing compounds | Isothiocyanates | 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 | |||
|---|---|---|---|---|---|
| Glucoraphanin | Broccoli | Vegetables, Cabbages | Publications | Show | |
| Glucoraphanin | Broccoli sprouts | Vegetables, Cabbages | Show | ||
| Sulforaphane | Broccoli sprouts | Vegetables, Cabbages | Show | ||
| Glucoraphanin | Brussel sprouts | Vegetables, Cabbages | Publications | Show | |
| Glucoraphanin | Cabbage, red | Vegetables, Cabbages | Publications | Show | |
| Glucoraphanin | Cauliflower | Vegetables, Cabbages | Publications | Show | |
| Glucoraphanin | Rocket salad | Vegetables, Leaf vegetables | Publications | Show | |
| Glucoraphanin | Swede (Rutabaga) | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Glucoraphanin | Sulforaphane-cysteine-glycine | human | plasma, urine | Not Available | Not Available | Not Available | Not Available | C11H21N3O4S3 | 355.06941969 | Detailed Intervention Studies | |||
| Sulforaphane | Sulforaphane-cysteine-glycine | human | plasma, urine | host metabolism | Not Available | Not Available | Not Available | C11H21N3O4S3 | 355.06941969 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Glucoraphanin | Sulforaphane-cysteine-glycine | Bmi | Effect, continuous | Publications |