Structure Database (LMSD)

Common Name
1-(3-methylpentadecyl)-3-nonylcyclopentane
Systematic Name
1-(3-methylpentadecyl)-3-nonylcyclopentane
Synonyms
LM ID
LMFA11000010
Formula
C30H60
Exact Mass
Calculate m/z
420.4695
Status
Active
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)
QIOAXSCBIPZQIO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60/c1-4-6-8-10-12-13-14-16-17-19-21-28(3)23-24-30-26-25-29(27-30)22-20-18-15-11-9-7-5-2/h28-30H,4-27H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCC1CC(CC1)CCC(C)CCCCCCCCCCCC

Other Databases

CHEBI ID
188215
PubChem CID
42607335

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 1
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 515.20
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.27
Molar Refractivity 138.30

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Updated at
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