Structure Database (LMSD)

Common Name
7-oxo-11E,13-Tetradecadienoic acid
Systematic Name
7-oxo-11E,13-Tetradecadienoic acid
Synonyms
LM ID
LMFA01060185
Formula
C14H22O3
Exact Mass
Calculate m/z
238.156895
Sum Composition
FA 14:3;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]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Amauris (#224099)
Insecta (#50557)
Carboxylic acids from hairpencils of male Amauris butterflies (Lep.: Danainae).,
Biol Chem Hoppe Seyler, 1988
Pubmed ID: 3214547

String Representations

InChiKey (Click to copy)
UXENOYDVEDGVDV-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C14H22O3/c1-2-3-4-5-7-10-13(15)11-8-6-9-12-14(16)17/h2-4H,1,5-12H2,(H,16,17)/b4-3+
SMILES (Click to copy)
C(CCCCCC(=O)CCC/C=C/C=C)(=O)O

Other Databases

CHEBI ID
168724
PubChem CID
44256504

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 266.57
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.50
Molar Refractivity 68.92

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Updated at
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