Structure Database (LMSD)

Common Name
11-Cycloheptyldecanoic acid
Systematic Name
11-Cycloheptyldecanoic acid
Synonyms
  • omega-cycloheptyldecanoic acid
LM ID
LMFA01140095
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
FA 17:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Alicyclobacillus cycloheptanicus (#1457)
Bacilli (#91061)
Three new omega-cycloheptyl fatty acids from Alicyclobacillus cycloheptanicus and their biosynthetic interrelationships.,
J Nat Prod, 1995
Pubmed ID: 7623036

String Representations

InChiKey (Click to copy)
OXWPLBIDMFXUJL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c18-17(19)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16H,1-15H2,(H,18,19)
SMILES (Click to copy)
C1CCCCCC1CCCCCCCCCC(=O)O

Other Databases

PubChem CID
54175293

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 305.24
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.55
Molar Refractivity 80.38

Admin

Created at
23rd Apr 2020
Updated at
23rd Apr 2020