Structure Database (LMSD)

Common Name
2-octyl-cyclopropaneoctanoic acid
Systematic Name
8-(2-octylcyclopropyl)octanoic acid
Synonyms
LM ID
LMFA01140057
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
FA 19:1
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
Homo sapiens (#9606)
Mammalia (#40674)
Identification of cyclopropaneoctanoic acid 2-hexyl in human adipose tissue and serum.,
Lipids, 2013
Pubmed ID: 23754307

String Representations

InChiKey (Click to copy)
PDXZQLDUVAKMBQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCCC1CC1CCCCCCCC)(=O)O

Other Databases

PubChem CID
160788

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 339.84
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.19
Molar Refractivity 89.54

Admin

Created at
-
Updated at
25th May 2022