Structure Database (LMSD)

Common Name
nonacosan-10-one
Systematic Name
nonacosan-10-one
Synonyms
  • Ginnone
  • Nonacosan-10-one
LM ID
LMFA12000008
Formula
C29H58O
Exact Mass
Calculate m/z
422.448765
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
ZPVRGRJHOPAZOE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H58O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h3-28H2,1-2H3
SMILES (Click to copy)
C(=O)(CCCCCCCCC)CCCCCCCCCCCCCCCCCCC

References

Other Databases

KEGG ID
C08386
HMDB ID
HMDB0033719
CHEBI ID
7612
PubChem CID
441490

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 516.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 10.74
Molar Refractivity 136.40

Admin

Created at
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Updated at
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