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Pristanic acid

CAT: 0931-T73754-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T73754-02Size:50 mg
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CAS Number
1189-37-3
Target
Endogenous Metabolite, Others
Related Pathways
Others, Metabolism
Bioactivity
Pristanic acid, an endogenous metabolite found in blood, is utilized in researching Alpha Methylacyl CoA Racemase Deficiency and Zellweger Syndrome [1] [2] [3].
Smiles
CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O
Molecular Formula
C19H38O2
Molecular Weight
298.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pristanic acid

Pristanic acid is a branched, long-chain saturated fatty acid composed of pentadecanoic acid having methyl substituents at the 2-, 6-, 10- and 14-positions. It has a role as a human metabolite. It is a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of a pristanate.

CAS Number1189-37-3
PubChem CID123929
IUPAC Name2,6,10,14-tetramethylpentadecanoic acid
Molecular FormulaC19H38O2
Molecular Weight298.5
XLogP8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count21
Formal Charge0
Complexity260
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O
InChI
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)
InChIKey
PAHGJZDQXIOYTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pristanic acid
CAS: 1189-37-3
CID: 123929
Formula: C19H38O2
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass298.287180451
Monoisotopic Mass298.287180451
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity260
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