We are currently updating the database - data may be missing for the next 10 minutes. We apologize for any inconvenience.

Bovine Metabolome Database



Showing metabocard for Pristanal (BMDB01958)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2006-05-22 15:17:29
Update Date 2009-07-13 10:48:32
Accession Number BMDB01958
Common Name Pristanal
Description Intermediate in the metabolism of phytanic acid and pristanic acid
Synonyms
  1. 2(S)-pristanal
  2. (2S)-pristanal
  3. (2S,6R,10R)-2,6,10,14-tetramethylpentadecanal
  4. 2SPr-al
  5. 2(R)-pristanal; (2R)-pristanal; (2R,6R,10R)-2,6,10,14-tetramethylpentadecanal;2RPr-al (2R,6R,10R,14)-tetramethylpentadecanal
Chemical IUPAC Name Not Available
Chemical Formula C19H38O
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Ketones and aldehydes
Class
  • Aldehydes
Sub Class
  • Long chain aldehydes
Family
  • Mammalian_Metabolite
Species
  • aldehyde
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 282.504
Monoisotopic Molecular Weight 282.292267
Isomeric SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C=O
Canonical SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C=O
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID 2364547 Link Image
Wikipedia Link Not Available
METLIN ID 6402 Link Image
PubChem Compound Not Available
PubChem Substance Not Available
ChEBI ID Not Available
CAS Registry Number 105373-75-9
InChI Identifier InChI=1/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3
Synthesis Reference Jung, Michael E.; Liu, Ching Yang. Efficient synthesis of a head-to-head isoprenoid geochemical biomarker from phytol. Journal of Organic Chemistry (1986), 51(26), 5446-7.
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1.73e-05 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 0
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity 7.79 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
Show Peaklist
Predicted 13C NMR Spectrum Show Image
Show Peaklist
Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Cytoplasm
  • peroxisome
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • Oxidation of Branched Fatty Acids
HMDB Pathways
Name Oxidation of Branched Fatty Acids
Image Show Link Image
KEGG Pathways Not Available
SimCell Pathways Not Available
General References Not Available