Pristanic acid
Showing entry for Pristanic acid
Identification
- PhytoHub ID
- PHUB000927
- Name
- Pristanic acid
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 298.511
- Monoisotopic Mass
- 298.287180464
- Chemical Formula
- C19H38O2
- IUPAC Name
- 2,6,10,14-tetramethylpentadecanoic acid
- InChI Key
- XLKXIWMHACWINL-ILDWOOSOSA-N
- InChI Identifier
InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)
- SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O
- Structure
Structure for Pristanic acid
Calculated Properties
- Solubility (ALOGPS)
- 1.36e-04 g/l
- LogS (ALOGPS)
- -6.34
- LogP (ALOGPS)
- 6.90
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 13
- Polar Surface Area
- 37.3
- Refractivity
- 90.70289999999999
- Polarizability
- 38.899675227868926
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- 4.999793865317857
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 51340
- PubChem
- 123929
- MetaboLights
- MTBLC51340
- FooDB (Compounds)
- FDB012993
- PeakForestCompound
- 000709
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Diterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Phytol | Terpenoids | Diterpenoids | 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 | |||
|---|---|---|---|---|---|
| Phytol | Asparagus | Vegetables, Other vegetables | Publications | Show | |
| Phytol | Broad bean | Pulses and beans | Publications | Show | |
| Phytol | Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Phytol | Olive oil | Fats and oils | Publications | Show | |
| Phytol | Rapeseed oil | Fats and oils | Publications | Show | |
| Phytol | Tea | Teas and herbal teas | 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 | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Phytol | Pristanic acid | human | Not Available | Not Available | Not Available | Not Available | Not Available | C19H38O2 | 298.287180464 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|