Structure Database (LMSD)

O OH
Common Name
Pristanic acid
Systematic Name
2,6,10,14-tetramethyl-pentadecanoic acid
Synonyms
  • Pentadecanoic acid, 2,6,10,14-tetramethyl-
  • 2,6,10,14-Tetramethylpentadecanoic acid
  • Pristanic acid
LM ID
LMPR0104010022
Formula
C19H38O2
Exact Mass
Calculate m/z
298.28718
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

String Representations

InChiKey (Click to copy)
PAHGJZDQXIOYTH-UHFFFAOYSA-N
InChi (Click to copy)
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)
SMILES (Click to copy)
C(C(C)CCCC(C)CCCC(C)CCCC(C)C)(=O)O

References

Other Databases

Wikipedia
Pristanic acid
LIPIDAT ID
1735
HMDB ID
HMDB0000795
CHEBI ID
51340
PubChem CID
123929

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 352.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.15
Molar Refractivity 91.52

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Created at
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Updated at
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