LIPID MAPS

Structure Database (LMSD)

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Common Name

18Z-Insignoic acid D

Systematic Name

Ethyl 4-oxotetracosa-2E,5E,18Z-trienoate

Synonyms

LM ID

LMFA07100013

Formula

C₂₆H₄₄O₃

Exact Mass

Calculate m/z

404.329045

Sum Composition

FA 26:4;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Endiandra (#128617)

Magnoliopsida (#3398)

Insignoic acids A - E, unusual α, β-unsaturated keto fatty acids isolated from the exocarp of Australian rainforest tree Endiandra insignis (Lauraceae).,
Fitoterapia, 2023

Pubmed ID: 38168569

String Representations

InChiKey (Click to copy)

GRBMVLMLCQYBDY-FVXVKOTHSA-N

InChi (Click to copy)

InChI=1S/C26H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24-26(28)29-4-2/h8-9,21-24H,3-7,10-20H2,1-2H3/b9-8-,22-21+,24-23+

SMILES (Click to copy)

C(/C=C/C(=O)/C=C/CCCCCCCCCCC/C=C\CCCCC)(=O)OCC

Other Databases

PubChem CID

171117769

Calculated Physicochemical Properties

Heavy Atoms 29

Rings

Aromatic Rings

Rotatable Bonds 21

Van der Waals Molecular Volume 471.53

Topological Polar Surface Area 43.37

Hydrogen Bond Donors

Hydrogen Bond Acceptors 3

logP 7.94

Molar Refractivity 124.48

Admin

Created at

11th Jan 2024

Updated at