Phytol
precursor
Showing entry for Phytol
Identification
- PhytoHub ID
- PHUB000197
- Name
- Phytol
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 296.539
- Monoisotopic Mass
- 296.307915908
- Chemical Formula
- C20H40O
- IUPAC Name
- (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol
- InChI Key
- BOTWFXYSPFMFNR-DHEJLWJBNA-N
- InChI Identifier
InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/s2
- SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.10e-04 g/l
- LogS (ALOGPS)
- -6.43
- LogP (ALOGPS)
- 7.89
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 13
- Polar Surface Area
- 20.23
- Refractivity
- 96.23729999999999
- Polarizability
- 40.23999805973908
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.217044680584718
- pKa (strongest acidic)
- 16.330030451338093
- Number of Rings
- 0
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 17327
- PubChem
- 5280435
- Chemistry Dashboard
- DTXSID1040586
- MetaboLights
- MTBLC17327
- FooDB (Compounds)
- FDB031117
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Diterpenoids
- Sub-class
- Not Available
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
PR010114 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PR100055 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PS009701 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS009702 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS009703 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS009704 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
PS009705 | ReSpect | N/A Spectrum - 50, [M+H]+ | View Spectra |
PS009706 | ReSpect | N/A Spectrum - 60, [M+H]+ | View Spectra |
PS064101 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS064102 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS064103 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS064104 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
PS064105 | ReSpect | N/A Spectrum - 50, [M+H]+ | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Asparagus | Vegetables, Other vegetables | Publications | Show | |
Broad bean | Pulses and beans | Publications | Show | |
Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
Olive oil | Fats and oils | Publications | Show | |
Rapeseed oil | Fats and oils | Publications | Show | |
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 | Phytanic acid | cow human mouse rabbit rat sheep | blood, plasma | Not Available | Not Available | Not Available | Not Available | C20H40O2 | 312.302830528 | Publications | |||
Phytol | Phytenic acid (trans-delta 2-) | human rat | Not Available | Not Available | Not Available | Not Available | Not Available | C20H38O2 | 310.287180464 | Publications | |||
Phytol | Phytenic acid (cis-delta 2-) | human rat | Not Available | Not Available | Not Available | Not Available | Not Available | C20H38O2 | 310.287180464 | Publications | |||
Phytol | Phytenic acid (trans-delta 3-) | human rat | Not Available | Not Available | Not Available | Not Available | Not Available | C20H38O2 | 310.287180464 | Publications | |||
Phytol | Phytenic acid (cis-delta 3-) | human rat | Not Available | Not Available | Not Available | Not Available | Not Available | C20H38O2 | 310.287180464 | Publications | |||
Phytol | Phytenic acid (3-methylene) | human rat | Not Available | Not Available | Not Available | Not Available | Not Available | C20H38O2 | 310.287180464 | Publications | |||
Phytol | Hydroxyphytanic acid (alpha-) | human | Not Available | Not Available | Not Available | Not Available | Not Available | C20H40O3 | 328.297745148 | Publications | |||
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 |
---|