RefMet Compound Details

Created with Raphaƫl 2.1.0OHO
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0118411
RefMet namePristanic acid
Systematic name2,6,10,14-tetramethyl-pentadecanoic acid
SynonymsPubChem Synonyms
Exact mass298.287180 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC19H38O2View other entries in RefMet with this formula
Molecular descriptors
Molfile28480 (Download molfile/View MW Metabolite Database details)
InChIInChI=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)
InChIKeyPAHGJZDQXIOYTH-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassPrenol Lipids
Main ClassIsoprenoids
Sub ClassC20 isoprenoids
Distribution of Pristanic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Pristanic acid
External Links
Pubchem CID123929
LIPID MAPSLMPR0104010022
ChEBI ID51340
HMDB IDHMDB0000795
Chemspider ID110458
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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