Coffee pyrimidines
precursor
Showing entry for Coffee pyrimidines
Identification
- PhytoHub ID
- PHUB002588
- Name
- Coffee pyrimidines
- Systematic Name
- Not Available
- Synonyms
- Not Available
- 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 Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Purines and pyrimidines
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Coffee | Coffee and coffee products | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Coffee pyrimidines | N-Methylnicotinamide | human | plasma, urine | host metabolism | 3h-5h | 0.5-2µmol/L | 10-30% | C7H8N2O | 136.063662886 | Detailed Intervention Studies | Publications | ||
| Coffee pyrimidines | N-Methyl-4-pyridone-5-carboxamide | human | plasma, urine | host metabolism | 5h-8h | 0.5-2µmol/L | 5-10% | C7H8N2O2 | 152.058577506 | Detailed Intervention Studies | Publications | ||
| Coffee pyrimidines | N-methyl-2-pyridone-5-carboxamide | human | urine | host metabolism | Not Available | Not Available | 50-70% | C7H8N2O2 | 152.058577506 | Detailed Intervention Studies | Publications | ||
| Coffee pyrimidines | N1-methyl-nicotinamide | human | urine | host metabolism | Not Available | Not Available | 30-50% | C7H9N2O | 137.070939338 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value | |||
|---|---|---|---|---|---|---|
| Coffee pyrimidines | N-Methylnicotinamide | Age | Not studied | |||
| Coffee pyrimidines | N-Methylnicotinamide | Bmi | Not studied | |||
| Coffee pyrimidines | N-Methylnicotinamide | Ethnicity | Not studied | |||
| Coffee pyrimidines | N-Methylnicotinamide | Genotype | Not studied | |||
| Coffee pyrimidines | N-Methylnicotinamide | Health_status | Not studied | |||
| Coffee pyrimidines | N-Methylnicotinamide | Microbiota | Not studied | |||
| Coffee pyrimidines | N-Methylnicotinamide | Sex | Not studied | |||
| Coffee pyrimidines | N-Methylnicotinamide | Smoking | Not studied |