LIPID MAPS

Structure Database (LMSD)

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Common Name

Lycocasuarinen acid A

Systematic Name

6-oxo-2E,4E-decadienoic acid

Synonyms

LM ID

LMFA01060237

Formula

C₁₀H₁₄O₃

Exact Mass

Calculate m/z

182.094295

Sum Composition

FA 10:3;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Lycopodiastrum casuarinoides (#73626)

Lycopodiopsida (#1521260)

New unsaturated fatty acids from the aerial parts of Lycopodiastrum casuarinoides,
Phytochemistry Letts, 2021

DOI: 10.1016/j.phytol.2020.11.004

String Representations

InChiKey (Click to copy)

VRLKPTNCXGUVII-NSLJXJERSA-N

InChi (Click to copy)

InChI=1S/C10H14O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)/b7-4+,8-5+

SMILES (Click to copy)

C(/C=C/C=C/C(=O)CCCC)(=O)O

Other Databases

PubChem CID

171120474

Calculated Physicochemical Properties

Heavy Atoms 13

Rings

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 197.37

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 1.94

Molar Refractivity 50.45

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Created at

2nd Oct 2021

Updated at