Glucoiberin
precursor
Showing entry for Glucoiberin
Identification
- PhytoHub ID
- PHUB000807
- Name
- Glucoiberin
- Systematic Name
- 3-Methylsulfinylpropyl-glucosinolate
- Synonyms
- 1-S-[4-(Methylsulfinyl)-N-(sulfooxy)butanimidoyl]-1-thio-beta-D-glucopyranose
- 3-(Methylsulfinyl)propylglucosinolate
- 3-Methylsulfinylpropyl glucosinolate
- CAS Number
- 554-88-1
- Average Mass
- 423.47
- Monoisotopic Mass
- 423.032759402
- Chemical Formula
- C11H21NO10S3
- IUPAC Name
- Not Available
- InChI Key
- PHYYADMVYQURSX-VKXZSDEGSA-M
- InChI Identifier
InChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/p-1/b12-7+/t6?,8-,9+,10?,11+,24?/m1/s1
- SMILES
CS(=O)CCC\C(S[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)=N/OS(O)(=O)=O
- Structure
Structure for Glucoiberin
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 Food Phytochemical
- Family
- N-containing compounds
- Class
- Glucosinolates
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Broccoli | Vegetables, Cabbages | Publications | Show | |
| Brussel sprouts | Vegetables, Cabbages | Publications | Show | |
| Cabbage, red | Vegetables, Cabbages | Publications | Show | |
| Cabbage, White | Vegetables, Cabbages | Publications | Show | |
| Capers | Herbs and Spices | Publications | Show | |
| Cauliflower | Vegetables, Cabbages | Publications | Show | |
| Common cabbage | Vegetables, Cabbages | Publications | Show | |
| Kale | Vegetables, Cabbages | Publications | Show | |
| Kohlrabi | Vegetables, Root vegetables | Publications | Show | |
| Savoy cabbage | Vegetables, Cabbages | Publications | Show | |
| Turnip | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Glucoiberin | Iberin | human | urine | Not Available | Not Available | Not Available | Not Available | C5H9NOS2 | 163.012556262 | Detailed Intervention Studies | |||
| Broccoli and mustard glucosinolates | Glucoiberin | Not Available | Not Available | Not Available | Not Available | Not Available | Not Available | C11H21NO10S3 | 423.032759402 | Detailed Intervention Studies |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|