Structure Database (LMSD)

Common Name
2-methoxy-4-oxatetradecanoic acid
Systematic Name
2-methoxy-4-oxa-tetradecanoic acid
Synonyms
  • tetradecanoic acid, 2-methoxy, 4-oxa
LM ID
LMFA01080022
Formula
C14H28O4
Exact Mass
Calculate m/z
260.19876
Sum Composition
FA 14:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Methoxy fatty acids [FA0108]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
New advances in fatty acids as antimalarial, antimycobacterial and antifungal agents.,
Prog Lipid Res, 2008
Pubmed ID: 18023422

String Representations

InChiKey (Click to copy)
RZVKSAIQLVVRNB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O4/c1-3-4-5-6-7-8-9-10-11-18-12-13(17-2)14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
SMILES (Click to copy)
C(C(COCCCCCCCCCC)OC)(=O)O

Other Databases

CHEBI ID
185606
PubChem CID
54294489

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 283.28
Topological Polar Surface Area 55.76
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.10
Molar Refractivity 73.35

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Updated at
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