Structure Database (LMSD)

Common Name
Methyl nonadeca-15,17-dienoate
Systematic Name
Methyl nonadeca-15Z,17Z-dienoate
Synonyms
LM ID
LMFA01031175
Status
Active
Exact Mass
Calculate m/z
308.27153
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
BDWYJHVGEIPXSA-OUPQRBNQSA-N
InChi (Click to copy)
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-6H,7-19H2,1-2H3/b4-3-,6-5-
SMILES (Click to copy)
C(CCCCCCCCCCCCC/C=C\C=C/C)(=O)OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Nigella sativa (#555479)
Magnoliopsida (#3398)
Novel lipid constituents identified in seeds of Nigella sativa (Linn),
J. Braz. Chem. Soc., 2008

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 364.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 6.36
Molar Refractivity 95.99

Admin

Created at
23rd Oct 2019
Updated at
5th Mar 2021