Structure Database (LMSD)

OH O O
Common Name
2-methoxy-hexadecanoic acid
Systematic Name
2-methoxy-hexadecanoic acid
Synonyms
  • 2-Methoxyhexadecanoic acid
LM ID
LMFA01080009
Formula
C17H34O3
Exact Mass
Calculate m/z
286.250795
Sum Composition
FA 17:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
YNBIUHDYZWCBSF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
SMILES (Click to copy)
OC(=O)C(OC)CCCCCCCCCCCCCC

References

Other Databases

KEGG ID
C13947
CHEBI ID
34295
PubChem CID
656825

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 326.39
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.46
Molar Refractivity 84.64

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Updated at
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