metabolite

Showing entry for Pristanic acid

Identification

PhytoHub ID
PHUB000927
Name
Pristanic acid
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-UHFFFAOYSA-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
MOLSDF3D-SDFPDBSMILESInChI View 3D 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
38.822272987812994
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.999793865317857
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Precursor Taxonomy

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

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Phytol Pristanic acidhumanNot AvailableC19H38O2298.287180464 Publications
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