Structure Database (LMSD)

O OH
Common Name
26:0(18Me,24Me)
Systematic Name
18,24-Dimethylhexacosanoic acid
Synonyms
LM ID
LMFA01020353
Formula
C26H52O2
Exact Mass
Calculate m/z
396.39673
Sum Composition
FA 26:0
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]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
KFALNCXMSKICPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O2/c1-4-24(2)20-18-19-22-25(3)21-16-14-12-10-8-6-5-7-9-11-13-15-17-23-26(27)28/h24-25H,4-23H2,1-3H3,(H,27,28)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCC(C)CCCCC(C)CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cinachyrella alloclada (#666329)
Demospongiae (#6042)
Phospholipid fatty acids and sterols of two Cinachyrella sponges from the Saudi Arabian Red Sea: comparison with Cinachyrella species from other origins.,
Comp Biochem Physiol B Biochem Mol Biol, 2003
Pubmed ID: 12798940

Other Databases

PubChem CID
52921776

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 473.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.17
Molar Refractivity 123.98

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Created at
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Updated at
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