LIPID MAPS

Structure Database (LMSD)

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Common Name

18Z-Insignoic acid B

Systematic Name

4-oxotetracosa-2E,5E,18Z-trienoic acid

Synonyms

LM ID

LMFA01060248

Formula

C₂₄H₄₀O₃

Exact Mass

Calculate m/z

376.297745

Sum Composition

FA 24:4;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)

DBHYXANCBYBFPI-OFMXOLRBSA-N

InChi (Click to copy)

InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)21-22-24(26)27/h6-7,19-22H,2-5,8-18H2,1H3,(H,26,27)/b7-6-,20-19+,22-21+

SMILES (Click to copy)

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

Other Databases

PubChem CID

171117710

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 0

Aromatic Rings 0

Rotatable Bonds 19

Van der Waals Molecular Volume 436.93

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 7.18

Molar Refractivity 114.99

Admin

Created at

11th Jan 2024

Updated at