Structure Database (LMSD)

Common Name
3,7,11,15,18-pentamethyloctacosane
Systematic Name
3,7,11,15,18-pentamethyloctacosane
Synonyms
LM ID
LMFA11000011
Formula
C33H68
Exact Mass
Calculate m/z
464.532101
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

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

String Representations

InChiKey (Click to copy)
UPFAOWHOCYHGCX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H68/c1-8-10-11-12-13-14-15-16-20-32(6)27-28-33(7)26-19-25-31(5)24-18-23-30(4)22-17-21-29(3)9-2/h29-33H,8-28H2,1-7H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCCCCCCCC

Other Databases

PubChem CID
42607336

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 579.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.40
Molar Refractivity 154.12

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Updated at
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