Structure Database (LMSD)

Common Name
11-methoxy-octadecanoic acid
Systematic Name
11-methoxyoctadecanoic acid
Synonyms
LM ID
LMFA01080027
Status
Active
Exact Mass
Calculate m/z
314.282095
Formula
C19H38O3
Abbrev
FA 19:0;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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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)
WWDCPOBCECWOAQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O3/c1-3-4-5-9-12-15-18(22-2)16-13-10-7-6-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21)
SMILES (Click to copy)
CCCCCCCC(OC)CCCCCCCCCC(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thiobacillus (#919)
Betaproteobacteria (#28216)
New advances in the chemistry of methoxylated lipids.,
Prog Lipid Res, 2002
Pubmed ID: 12169299

Other Databases

CHEBI ID
186577
PubChem CID
22371595

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 360.99
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.24
Molar Refractivity 93.87

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Updated at
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