Structure Database (LMSD)

Common Name
14,19-dimethyl-eicosanoic-acid
Systematic Name
14,19-dimethyleicosanoic acid
Synonyms
  • 14,19-diMe-20:0
LM ID
LMFA01020424
Formula
C22H44O2
Exact Mass
Calculate m/z
340.33413
Sum Composition
FA 22:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Thermogemmatispora sp. (#1968838)
Ktedonobacteria (#388447)
A novel fatty acid, 12,17-dimethyloctadecanoic acid, from the extremophile Thermogemmatispora sp. (Strain T81).,
Lipids, 2012
Pubmed ID: 22476737

String Representations

InChiKey (Click to copy)
VJKLVILAZFDWDJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-20(2)16-14-15-18-21(3)17-12-10-8-6-4-5-7-9-11-13-19-22(23)24/h20-21H,4-19H2,1-3H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(C)CCCCC(C)C)(=O)O

Other Databases

PubChem CID
134812101

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 404.10
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.60
Molar Refractivity 105.51

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Updated at
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