Structure Database (LMSD)

Common Name
3-Methylpentacosane
Systematic Name
3-Methylpentacosane
Synonyms
LM ID
LMFA11000402
Formula
C26H54
Exact Mass
Calculate m/z
366.422551
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Periplaneta americana (#6978)
Insecta (#50557)
Isolation and determination of absolute configurations of insect-produced methyl-branched hydrocarbons.,
Proc Natl Acad Sci U S A, 2015
Pubmed ID: 25583471

String Representations

InChiKey (Click to copy)
VNSJCJLDAGMPAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0038309
PubChem CID
189001

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 458.36
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.24
Molar Refractivity 122.09

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Created at
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Updated at
11th Dec 2025