LIPID MAPS

Structure Database (LMSD)

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Common Name

9-Ketooctacosanoic acid

Systematic Name

9-oxo-Octacosanoic acid

Synonyms

Octacosanoic acid, 9-oxo-

LM ID

LMFA01060208

Formula

C₂₈H₅₄O₃

Exact Mass

Calculate m/z

438.407295

Sum Composition

FA 28:1;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

JMIGCFVTGQGONA-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C28H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-27(29)25-22-19-17-20-23-26-28(30)31/h2-26H2,1H3,(H,30,31)

SMILES (Click to copy)

C(CCCCCCCC(=O)CCCCCCCCCCCCCCCCCCC)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Argemone mexicana (#54796)

Magnoliopsida (#3398)

Fatty acids, part 51. The long-chain oxo acids (argemonic acid) in Argemone mexicana seed oil,
Chem Phys Lipids, 1977

DOI: 10.1016/0009-3084(77)90073-1

Other Databases

PubChem CID

23509045

PlantFA ID

10391

Calculated Physicochemical Properties

Heavy Atoms 31

Rings 0

Aromatic Rings 0

Rotatable Bonds 26

Van der Waals Molecular Volume 514.05

Topological Polar Surface Area 54.37

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 9.41

Molar Refractivity 133.74

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Created at

Updated at

25th Mar 2024