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Phytanic acid (PC001215)

Record Information
Version1.0
Creation date2018-05-02 12:50:34 UTC
Update date2018-05-04 14:14:27 UTC
FoodComEx IDPC001215
FoodDB RecordFDB022252
Chemical Information
NamePhytanic acid
DescriptionA 20-carbon branched chain fatty acid, Phytanic acid is present in animal (primarily herbivores or omnivores) tissues where it may be derived from the chlorophyll in consumed plant material. Phytanic acid derives from the corresponding alcohol, phytol, and is ultimately oxidized into pristanic acid. In phytanic acid storage disease (Refsum disease) this lipid may comprise as much as 30% of the total fatty acids in plasma. These high levels in Refsum disease (a neurological disorder) are due to a phytanic acid alpha-hydroxylase deficiency.; A 20-carbon branched chain fatty acid. In phytanic acid storage disease (Refsum disease) this lipid may comprise as much as 30% of the total fatty acids of the plasma. This is due to a phytanic acid alpha-hydroxylase deficiency. [HMDB]
CAS Number14721-66-5
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
3,7,11,15-Tetramethyl hexadecanoateGenerator
3,7,11,15-Tetramethyl hexadecanoic acidChEBI
3,7,11,15-Tetramethyl-hexadecanoatehmdb
3,7,11,15-Tetramethyl-hexadecanoic acidhmdb
3,7,11,15-Tetramethyl-hexadecansaeurehmdb
3,7,11,15-Tetramethylhexadecanoatehmdb
3,7,11,15-Tetramethylhexadecanoic acidhmdb
3,7,11,15-tetramethylhexadecoanoatehmdb
3,7,11,15-tetramethylhexadecoanoic acidhmdb
Phytanatehmdb
Phytanoatehmdb
Phytanoic acidhmdb
Chemical FormulaC20H40O2
IUPAC name3,7,11,15-tetramethylhexadecanoic acid
InChI IdentifierInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
InChI KeyRLCKHJSFHOZMDR-UHFFFAOYSA-N
Isomeric SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
Average Molecular Weight312.5304
Monoisotopic Molecular Weight312.302830524
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentAcyclic diterpenoids
Alternative Parents
Substituents
  • Acyclic diterpenoid
  • Long-chain fatty acid
  • Methyl-branched fatty acid
  • Branched fatty acid
  • Fatty acyl
  • Fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions-18°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
AKSci 1986AH
Cayman Chemical 90360