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
pristanic acid
InChI Key
PAHGJZDQXIOYTH-UHFFFAOYNA-N
InChI Identifier
InChI=1/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

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

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Diterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Precursor(s)

PrecursorFamilyClassSub-class
PhytolTerpenoidsDiterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
PhytolAsparagusVegetables, Other vegetables PublicationsShow
PhytolBroad beanPulses and beans PublicationsShow
PhytolLettuceVegetables, Leaf vegetables PublicationsShow
PhytolOlive oilFats and oils PublicationsShow
PhytolRapeseed oilFats and oils PublicationsShow
PhytolTeaTeas and herbal teas PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Phytol Pristanic acidhumanNot AvailableNot AvailableNot AvailableNot AvailableC19H38O2298.287180464 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

Back