Structure Database (LMSD)

O OH
Common Name
11-Cycloheptylnonanoic acid
Systematic Name
11-Cycloheptylnonanoic acid
Synonyms
  • omega-cycloheptylnoncanoic acid
LM ID
LMFA01140096
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
UQBKDOGXRBMFLK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c17-16(18)14-10-4-2-1-3-7-11-15-12-8-5-6-9-13-15/h15H,1-14H2,(H,17,18)
SMILES (Click to copy)
C1CCCCCC1CCCCCCCCC(=O)O

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

Other Databases

PubChem CID
86181572

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 287.94
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.16
Molar Refractivity 75.76

Admin

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