Structure Database (LMSD)

Common Name
5-oxo-6E,8Z-tetradecadienoic acid
Systematic Name
5-oxo-6E,8Z-tetradecadienoic acid
Synonyms
LM ID
LMFA01031187
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]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micrococcus sp. (#1271)
Actinomycetes (#1760)
Two antibacterial and PPARα/γ-agonistic unsaturated keto fatty acids from a coral-associated actinomycete of the genus Micrococcus.,
Beilstein J Org Chem, 2020
Pubmed ID: 32256847

String Representations

InChiKey (Click to copy)
CUBKHJDNGLGYAG-VAAURPRASA-N
InChi (Click to copy)
InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-10-13(15)11-9-12-14(16)17/h6-8,10H,2-5,9,11-12H2,1H3,(H,16,17)/b7-6-,10-8+
SMILES (Click to copy)
C(CCCC(=O)/C=C/C=C\CCCCC)(=O)O

Other Databases

PubChem CID
171119093

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
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

Admin

Created at
21st Jun 2020
Updated at
22nd Jun 2020