Structure Database (LMSD)

Common Name
Sarekensane
Systematic Name
cis,cis-3,4,13,14-bismethylene-24-methyldotriacontane
Synonyms
LM ID
LMFA11000721
Formula
C35H68
Exact Mass
Calculate m/z
488.5321
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Vertagopus (#281425)
Collembola (#30001)
Cyclopropane Hydrocarbons from the Springtail Vertagopus sarekensis─A New Class of Cuticular Lipids from Arthropods.,
J Nat Prod, 2023
Pubmed ID: 37957119

String Representations

InChiKey (Click to copy)
XVDBGZDCIBNYLY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H68/c1-4-6-7-8-14-19-24-31(3)25-20-15-10-9-11-16-22-27-34-30-35(34)28-23-18-13-12-17-21-26-33-29-32(33)5-2/h31-35H,4-30H2,1-3H3
SMILES (Click to copy)
CCC1CC1CCCCCCCCC1CC1CCCCCCCCCC(C)CCCCCCCC

Other Databases

PubChem CID
171117774

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 2
Aromatic Rings
Rotatable Bonds 27
Van der Waals Molecular Volume 589.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 12.69
Molar Refractivity 159.13

Admin

Created at
15th Nov 2023
Updated at
15th Nov 2023