Structure Database (LMSD)

Common Name
18Z,21Z-Heptacosadien-10-one
Systematic Name
18Z,21Z-Heptacosadien-10-one
Synonyms
LM ID
LMFA12000225
Status
Active
Exact Mass
Calculate m/z
390.386165
Formula
C27H50O
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)
IEMOMXGXBOVRLW-HDXUUTQWSA-N
InChi (Click to copy)
InChI=1S/C27H50O/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/h11-12,14-15H,3-10,13,16-26H2,1-2H3/b12-11-,15-14-
SMILES (Click to copy)
CCCCCCCCCC(=O)CCCCCCC/C=C\C/C=C\CCCCC

References

Other Databases

PubChem CID
11257808

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 476.53
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 9.51
Molar Refractivity 126.98

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Created at
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Updated at
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