Structure Database (LMSD)

O O O
Common Name
methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
Systematic Name
methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
Synonyms
  • Methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
  • methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
  • Juvenile Hormone II
LM ID
LMFA01070020
Formula
C17H28O3
Exact Mass
Calculate m/z
280.203845
Sum Composition
FA 17:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Epoxy fatty acids [FA0107]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
CPVQJXZBSGXTGJ-LDFUMKFYSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17-/m1/s1
SMILES (Click to copy)
C(=O)(OC)/C=C(\C)/CC/C=C(\C)/CC[C@H]1O[C@]1(C)CC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hyalophora cecropia (#7123)
Insecta (#50557)
The two juvenile hormones from the cecropia silk moth.,
Proc Natl Acad Sci U S A, 1968
Pubmed ID: 16591663

Other Databases

KEGG ID
C04867
CHEBI ID
15581
PubChem CID
5459796

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 308.75
Topological Polar Surface Area 38.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 4.75
Molar Refractivity 82.59

Admin

Created at
-
Updated at
7th Jun 2022