LIPID MAPS

Structure Database (LMSD)

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Common Name

Methyl nonadeca-15,17-dienoate

Systematic Name

Methyl nonadeca-15Z,17Z-dienoate

Synonyms

LM ID

LMFA01031175

Formula

C₂₀H₃₆O₂

Exact Mass

Calculate m/z

308.27153

Sum Composition

FA 20:2

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

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

DOI: 10.1590/S0103-50532008000300012

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

Other Databases

PubChem CID

171120552

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