Structure Database (LMSD)

Common Name
9-octadecenolide
Systematic Name
9Z-octadecen-18-olide
Synonyms
  • 9-octadecenolactone
LM ID
LMFA07040090
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Equus caballus (#9796)
Mammalia (#40674)
Skin surface lipids of the horse.,
Lipids, 1980
Pubmed ID: 7392826

String Representations

InChiKey (Click to copy)
GODWWTDBDJRXIU-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20-18/h1-2H,3-17H2/b2-1-
SMILES (Click to copy)
C1(=O)OCCCCCCCCC=CCCCCCCC1

Other Databases

PubChem CID
6428982

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 319.90
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.85
Molar Refractivity 85.23

Admin

Created at
1st May 2020
Updated at
1st May 2020