Structure Database (LMSD)

Common Name
11-cycloheptyl,2R-hydroxyundecanoic acid
Systematic Name
11-cycloheptyl,2R-hydroxyundecanoic acid
Synonyms
  • omega‐cycloheptyl‐alpha‐hydroxyundecanoic Acid
LM ID
LMFA01140097
Formula
C18H34O3
Exact Mass
Calculate m/z
298.250795
Sum Composition
FA 18:1;O
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)
omega‐Cycloheptyl‐alpha‐hydroxyundecanoic Acid, a New Fatty Acid from a Thermo‐acidophilic Bacillus Speciess,
Eur. J. Org. Chem, 1985

String Representations

InChiKey (Click to copy)
IMEZCTSDSJOJAC-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c19-17(18(20)21)15-11-5-3-1-2-4-8-12-16-13-9-6-7-10-14-16/h16-17,19H,1-15H2,(H,20,21)/t17-/m1/s1
SMILES (Click to copy)
C1CCCCCC1CCCCCCCCC[C@H](C(=O)O)O

Other Databases

PubChem CID
101288409

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 331.33
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.20
Molar Refractivity 86.90

Admin

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