Structure Database (LMSD)

Common Name
2-[3]-ladderane ethanoic acid
Systematic Name
2-[3]-ladderane ethanoic acid
Synonyms
  • C14-[3]-ladderane fatty acid
LM ID
LMFA01140082
Formula
C14H20O2
Exact Mass
Calculate m/z
220.14633
Sum Composition
FA 14:4
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)
MZLSFWGEQLSKRL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H20O2/c15-12(16)6-7-1-2-10-11(5-7)14-9-4-3-8(9)13(10)14/h7-11,13-14H,1-6H2,(H,15,16)
SMILES (Click to copy)
C12CCC(CC(O)=O)CC1C1C3CCC3C21

Other Databases

CHEBI ID
187485
PubChem CID
137323821

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 216.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.78
Molar Refractivity 59.77

Admin

Created at
-
Updated at
-