Structure Database (LMSD)

Common Name
8-[1]-ladderane octanol
Systematic Name
8-[1]-ladderane octanol
Synonyms
LM ID
LMFA01140086
Formula
C20H32O
Exact Mass
Calculate m/z
288.245315
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]
Hydroxy fatty acids [FA0105]

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)
FRIKWUMANILBMM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H32O/c21-14-8-4-2-1-3-5-9-16-12-13-19-17-10-6-7-11-18(17)20(19)15-16/h7,11-13,16-21H,1-6,8-10,14-15H2
SMILES (Click to copy)
C(CCC1C=CC2C3CCC=CC3C2C1)CCCCCO

Other Databases

CHEBI ID
192904
PubChem CID
137323825

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 320.99
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.40
Molar Refractivity 89.48

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Updated at
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