Structure Database (LMSD)

Common Name
18Z-Heptacosen-10-one
Systematic Name
18Z-Heptacosen-10-one
Synonyms
LM ID
LMFA12000224
Status
Active
Exact Mass
Calculate m/z
392.401815
Formula
C27H52O
Show lipids differing only in stereochemistry/bond geometry
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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)
VSDSMPLLDJUGIM-PFONDFGASA-N
InChi (Click to copy)
InChI=1S/C27H52O/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-27(28)25-23-21-19-10-8-6-4-2/h14-15H,3-13,16-26H2,1-2H3/b15-14-
SMILES (Click to copy)
CCCCCCCCCC(=O)CCCCCCC/C=C\CCCCCCCC

References

Other Databases

PubChem CID
11280822

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 479.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 9.73
Molar Refractivity 127.07

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Created at
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Updated at
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