Structure Database (LMSD)

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

Classification

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

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

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

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