Structure Database (LMSD)

Common Name
5,13,16-trimethyloctacosane
Systematic Name
5,13,16-trimethyloctacosane
Synonyms
LM ID
LMFA11000009
Status
Active
Exact Mass
Calculate m/z
436.5008
Formula
C31H64
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
FXPWKBBSKOIRTE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H64/c1-6-8-10-11-12-13-14-15-17-21-25-30(4)27-28-31(5)26-22-19-16-18-20-24-29(3)23-9-7-2/h29-31H,6-28H2,1-5H3
SMILES (Click to copy)
CCCCC(C)CCCCCCCC(C)CCC(C)CCCCCCCCCCCC

References

Reference
PubMed ID: 16306681
Comments
Submitted by Henry Boumann, Netherlands

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unidentified (#32644)
Recent advances in structural research on ether lipids from archaea including comparative and physiological aspects.,
Biosci Biotechnol Biochem, 2005
Pubmed ID: 16306681

Other Databases

PubChem CID
42607334

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 544.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.91
Molar Refractivity 145.03

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Updated at
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