Structure Database (LMSD)

O O OH
Common Name
3-oxo-tetracosanoic acid
Systematic Name
3-oxo-tetracosanoic acid
Synonyms
LM ID
LMFA01060147
Formula
C24H46O3
Exact Mass
Calculate m/z
382.344695
Sum Composition
FA 24:1;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)
LTCWTQLFMAJHBA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(26)27/h2-22H2,1H3,(H,26,27)
SMILES (Click to copy)
C(CC(=O)CCCCCCCCCCCCCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2218
CHEBI ID
52352
PubChem CID
4052410

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 444.85
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 7.85
Molar Refractivity 115.27

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Created at
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Updated at
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