Structure Database (LMSD)

Common Name
29-Hydroxy-3,11-dimethylnonacosan-2-one
Systematic Name
29-Hydroxy-3,11-dimethylnonacosan-2-one
Synonyms
LM ID
LMFA12000234
Status
Active
Exact Mass
Calculate m/z
466.47498
Formula
C31H62O2
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZAZXSLQAPIQFJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-29(26-22-18-16-19-23-27-30(2)31(3)33)25-21-17-14-12-10-8-6-4-5-7-9-11-13-15-20-24-28-32/h29-30,32H,4-28H2,1-3H3
SMILES (Click to copy)
CC(=O)C(C)CCCCCCCC(C)CCCCCCCCCCCCCCCCCCO

References

Other Databases

PubChem CID
205990

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.49
Molar Refractivity 147.39

Admin

Created at
-
Updated at
-