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Phytanic acid

CAT: 0931-T73757-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T73757-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14721-66-5
Target
Others
Related Pathways
Others
Bioactivity
Phytanic acid, an endogenous metabolite found in blood, is utilized in studying Zellweger Syndrome, Alpha Methylacyl CoA Racemase Deficiency, Rhizomelic Chondrodysplasia Punctata, and Infantile Refsum Disease [1] [2] [3] [4] [5].
Smiles
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
Molecular Formula
C20H40O2
Molecular Weight
312.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phytanic Acid

Phytanic acid is a branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15. It is a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is functionally related to a hexadecanoic acid. It is a conjugate acid of a phytanate. It derives from a hydride of a phytane.

CAS Number14721-66-5
PubChem CID26840
IUPAC Name3,7,11,15-tetramethylhexadecanoic acid
Molecular FormulaC20H40O2
Molecular Weight312.5
XLogP8.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Heavy Atom Count22
Formal Charge0
Complexity273
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
InChI
InChI=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)
InChIKey
RLCKHJSFHOZMDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phytanic Acid
CAS: 14721-66-5
CID: 26840
Formula: C20H40O2
MW: 312.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.5
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count14
Exact Mass312.302830514
Monoisotopic Mass312.302830514
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T2971-01Phytic acid
TYD-01806-01Phytic acid hexabarium
TSH-00390-01Phytic acid calcium
T5075-01Phytic acid potassium
T5584-01Phytic acid sodium salt
T16527-01Phytic acid dodecasodium salt hydrate
CB0277SPhytic Acid Assay Kit (Spectrophotometry)
CB0277MPhytic Acid Assay Kit (Microanalysis)
T29605-01Acid Red 186 free acid
T14100-01Acid-PEG2-SS-PEG2-acid

Alternative Products

CatalogName
sc-205434Phytanic Acid
HY-113067S-01Phytanic acid-d3
HY-165989Phytanic acid ethyl ester
P9005-70Phytanic Acid, Conjugated discontinued
sc-215719Phytanic acid methyl ester
IFC92040-01Phytanic acid (3-methyl-d3)
P9005-69PhyH (Phytanoyl-CoA dioxygenase peroxisomal, Phytanoyl-CoA alpha-hydroxylase, Phytanic acid oxidase, PHYH, PAHX)
131296-FITCPhyH (Phytanoyl-CoA dioxygenase peroxisomal, Phytanoyl-CoA alpha-hydroxylase, Phytanic acid oxidase, PHYH, PAHX) (FITC)
131296-PEPhyH (Phytanoyl-CoA dioxygenase peroxisomal, Phytanoyl-CoA alpha-hydroxylase, Phytanic acid oxidase, PHYH, PAHX) (PE)
131296-BiotinPhyH (Phytanoyl-CoA dioxygenase peroxisomal, Phytanoyl-CoA alpha-hydroxylase, Phytanic acid oxidase, PHYH, PAHX) (Biotin)

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