Structure Database (LMSD)

Common Name
11-methoxy-nonadecanoic acid
Systematic Name
11-methoxynonadecanoic acid
Synonyms
LM ID
LMFA01080031
Formula
C20H40O3
Exact Mass
Calculate m/z
328.297745
Sum Composition
FA 20:0;O
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
Helicobacter pylori (#210)
Epsilonproteobacteria (#3031852)
New advances in the chemistry of methoxylated lipids.,
Prog Lipid Res, 2002
Pubmed ID: 12169299

String Representations

InChiKey (Click to copy)
ROZAZLGTUNTXFB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O3/c1-3-4-5-6-10-13-16-19(23-2)17-14-11-8-7-9-12-15-18-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
SMILES (Click to copy)
C(CC)CCCCCC(OC)CCCCCCCCCC(=O)O

Other Databases

CHEBI ID
169218
PubChem CID
85843852

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 378.29
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.63
Molar Refractivity 98.49

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Updated at
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