Structure Database (LMSD)

Common Name
8-[1]-ladderane octanoic acid
Systematic Name
8-[1]-ladderane octanoic acid
Synonyms
  • C20-[1]-ladderane fatty acid
LM ID
LMFA01140084
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Sum Composition
FA 20:4
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]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Candidatus Brocadiaceae (#1127830)
Candidatus Brocadiia (#2517206)
Structural identification of ladderane and other membrane lipids of planctomycetes capable of anaerobic ammonium oxidation (anammox).,
FEBS J, 2005
Pubmed ID: 16098207

String Representations

InChiKey (Click to copy)
ZKRGEQPJMSDUDI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c21-20(22)11-5-3-1-2-4-8-15-12-13-18-16-9-6-7-10-17(16)19(18)14-15/h7,10,15-19H,1-6,8-9,11-14H2,(H,21,22)
SMILES (Click to copy)
C1(CCC2C3CCC=CC3C2C1)CCCCCCCC(=O)O

Other Databases

PubChem CID
137323823

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 329.78
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.43
Molar Refractivity 89.63

Admin

Created at
-
Updated at
-