Identification

PhytoHub ID
PHUB000197
Name
Phytol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
296.539
Monoisotopic Mass
296.307915908
Chemical Formula
C20H40O
IUPAC Name
phytol
InChI Key
BOTWFXYSPFMFNR-PYDDKJGSSA-N
InChI Identifier
InChI=1S/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-/m1/s1
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
40.325465267323764
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.217044680584718
pKa (strongest acidic)
16.330030451338093
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Taxonomy

Family
Terpenoids
Class
Diterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
PR010114MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PR100055MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PS009701ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS009702ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS009703ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS009704ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS009705ReSpectN/A Spectrum - 50, [M+H]+View Spectra
PS009706ReSpectN/A Spectrum - 60, [M+H]+View Spectra
PS064101ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS064102ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS064103ReSpectN/A Spectrum - 30, [M+H]+View Spectra
PS064104ReSpectN/A Spectrum - 40, [M+H]+View Spectra
PS064105ReSpectN/A Spectrum - 50, [M+H]+View Spectra

Food Sources

NameGroup
AsparagusVegetables, Other vegetables PublicationsShow
Broad beanPulses and beans PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow
Olive oilFats and oils PublicationsShow
Rapeseed oilFats and oils PublicationsShow
TeaTeas and herbal teas PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Phytol Phytanic acidcow human mouse rabbit rat sheepblood, plasmaC20H40O2312.302830528 Publications
Phytol Phytenic acid (trans-delta 2-)human ratNot AvailableC20H38O2310.287180464 Publications
Phytol Phytenic acid (cis-delta 2-)human ratNot AvailableC20H38O2310.287180464 Publications
Phytol Phytenic acid (trans-delta 3-)human ratNot AvailableC20H38O2310.287180464 Publications
Phytol Phytenic acid (cis-delta 3-)human ratNot AvailableC20H38O2310.287180464 Publications
Phytol Phytenic acid (3-methylene)human ratNot AvailableC20H38O2310.287180464 Publications
Phytol Hydroxyphytanic acid (alpha-)humanNot AvailableC20H40O3328.297745148 Publications
Phytol Pristanic acidhumanNot AvailableC19H38O2298.287180464 Publications
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