Structure Database (LMSD)

OH
Common Name
6-[1]-ladderane hexanol
Systematic Name
6-[1]-ladderane hexanol
Synonyms
LM ID
LMFA01140088
Formula
C18H28O
Exact Mass
Calculate m/z
260.214015
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]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
WNGSQFREFUKQMP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H28O/c19-12-6-2-1-3-7-14-10-11-17-15-8-4-5-9-16(15)18(17)13-14/h5,9-11,14-19H,1-4,6-8,12-13H2
SMILES (Click to copy)
C(CCC1C=CC2C3CCC=CC3C2C1)CCCO

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

Other Databases

CHEBI ID
184243
PubChem CID
137323827

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 286.39
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.62
Molar Refractivity 80.24

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Created at
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Updated at
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