Structure Database (LMSD)

Common Name
2-Hydroxy-24-keto-octacosanolide
Systematic Name
2-Hydroxy-24-keto-octacosanolide
Synonyms
LM ID
LMFA07040063
Formula
C28H52O4
Exact Mass
Calculate m/z
452.38656
Sum Composition
FA 28:2;O2
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]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]
Carbocyclic fatty acids [FA0114]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pseudacanthotermes spiniger (#115113)
Insecta (#50557)
New macrolactones from the defensive salivary secretion of soldiers of the african termite Pseudacanthotermes spiniger,
Tetrahedron Letts, 1999

String Representations

InChiKey (Click to copy)
XHLPRIJMQZUNTK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H52O4/c29-26-22-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-24-27(30)28(31)32-25-21-20-23-26/h27,30H,1-25H2
SMILES (Click to copy)
C1(OCCCCC(=O)CCCCCCCCCCCCCCCCCCCCCC1O)=O

Other Databases

CHEBI ID
187965
PubChem CID
56936053

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 510.48
Topological Polar Surface Area 65.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 8.41
Molar Refractivity 133.78

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Created at
-
Updated at
28th Mar 2021