Structure Database (LMSD)

Common Name
6-[1]-ladderane hexanoic acid
Systematic Name
6-[1]-ladderane hexanoic acid
Synonyms
  • C18-[1]-ladderane fatty acid
LM ID
LMFA01140085
Formula
C18H26O2
Exact Mass
Calculate m/z
274.19328
Sum Composition
FA 18:5
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)
ATCCBQYAUWNJQL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c19-18(20)9-3-1-2-6-13-10-11-16-14-7-4-5-8-15(14)17(16)12-13/h5,8,10-11,13-17H,1-4,6-7,9,12H2,(H,19,20)
SMILES (Click to copy)
C(C1CC2C3C=CCCC3C2C=C1)CCCCC(=O)O

Other Databases

PubChem CID
137323824

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 292.54
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.43
Molar Refractivity 80.30

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Updated at
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