Structure Database (LMSD)

Common Name
Leptotriene
Systematic Name
Synonyms
LM ID
LMPR0103120003
Formula
C15H22
Exact Mass
Calculate m/z
202.17215
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Caryophyllane sesquiterpenoids [PR010312]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Leptoglossus zonatus (#1228019)
Insecta (#50557)
Identification and Synthesis of Leptotriene, a Unique Sesquiterpene Hydrocarbon from Males of the Leaffooted Bugs Leptoglossus zonatus and L. occidentalis.,
J Nat Prod, 2022
Pubmed ID: 35877168

String Representations

InChiKey (Click to copy)
FXKCRBZUUFWUJK-PISUUVGWSA-N
InChi (Click to copy)
InChI=1S/C15H22/c1-5-12-7-6-11(2)13-10-15(3,4)14(13)9-8-12/h5,7,13-14H,1-2,6,8-10H2,3-4H3/b12-7-/t13-,14-/m1/s1
SMILES (Click to copy)
[C@]12(CCC(C=C)=CCC(=C)[C@@]1([H])CC2(C)C)[H]

Other Databases

PubChem CID
171120429

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings
Rotatable Bonds 1
Van der Waals Molecular Volume 235.42
Topological Polar Surface Area 0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP 4.50
Molar Refractivity 66.65

Admin

Created at
2nd Aug 2022
Updated at
2nd Aug 2022