Structure Database (LMSD)

Common Name
2-[5]-ladderane ethanoic acid
Systematic Name
2-[5]-ladderane ethanoic acid
Synonyms
  • C14-[5]-ladderane fatty acid
LM ID
LMFA01140081
Formula
C14H18O2
Exact Mass
Calculate m/z
218.13068
Sum Composition
FA 14:5
Status
Curated
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
unclassified Planctomycetaceae (#69476)
Planctomycetia (#203683)
Short chain ladderanes: Oxic biodegradation products from anammox lipids.,
Geochimica et Cosmochimica Acta, 2011

String Representations

InChiKey (Click to copy)
DZIBLSUVSGTNGQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H18O2/c15-9(16)4-5-3-8-10(5)14-12-7-2-1-6(7)11(12)13(8)14/h5-8,10-14H,1-4H2,(H,15,16)
SMILES (Click to copy)
C(C(O)=O)C1C2C3C4C5CCC5C4C3C2C1

Other Databases

PubChem CID
137323820

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 5
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 203.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.25
Molar Refractivity 57.51

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Updated at
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