Structure Database (LMSD)

O O
Common Name
13-tetradecanolide
Systematic Name
13-tetradecanolide
Synonyms
LM ID
LMFA07040050
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
FA 14:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
FGDBANZBXSVCEG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-13-11-9-7-5-3-2-4-6-8-10-12-14(15)16-13/h13H,2-12H2,1H3
SMILES (Click to copy)
C1(OC(C)CCCCCCCCCCC1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Amauris damocles (#2746759)
Insecta (#50557)
Specific mixtures of secretions from male scent organs of African milkweed butterflies (Danainae),
Phil Trans Royal Soc B, 1993

Other Databases

HMDB ID
HMDB0030921
CHEBI ID
179328
PubChem CID
543405

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 253.34
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.51
Molar Refractivity 66.85

Admin

Created at
-
Updated at
1st Apr 2022