Structure Database (LMSD)

OH O
Common Name
cis-2-(2-hexylcyclopropyl)-acetic acid
Systematic Name
2-((1S,2S)-2-hexylcyclopropyl)acetic acid
Synonyms
  • (2-hexylcyclopropyl)acetic acid
LM ID
LMFA01140090
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
Sum Composition
FA 11:1
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)
DSMAUFFXECFFMC-UWVGGRQHSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10-/m0/s1
SMILES (Click to copy)
C(C[C@@H]1C[C@@H]1CCCCCC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Labrenzia sp. 011 (#2171494)
Alphaproteobacteria (#28211)
Cyclopropane-Containing Fatty Acids from the Marine Bacterium Labrenzia sp. 011 with Antimicrobial and GPR84 Activity.,
Mar Drugs, 2018
Pubmed ID: 30297608

Other Databases

PubChem CID
71362946

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 201.44
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.07
Molar Refractivity 52.61

Admin

Created at
31st Mar 2020
Updated at
18th Jun 2020