Structure Database (LMSD)

O O OH
Common Name
22-oxo-tricosanoic acid
Systematic Name
22-oxo-tricosanoic acid
Synonyms
LM ID
LMFA01060145
Formula
C23H44O3
Exact Mass
Calculate m/z
368.329045
Sum Composition
FA 23:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
DWIGCHXTZQHDFF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H44O3/c1-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23(25)26/h2-21H2,1H3,(H,25,26)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCC(=O)C)(=O)O

References

Other Databases

LIPIDAT ID
2234
PubChem CID
5312933

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 427.55
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.46
Molar Refractivity 110.66

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Created at
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Updated at
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