Structure Database (LMSD)

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

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

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

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

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
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Updated at
25th Mar 2024