LIPID MAPS

Structure Database (LMSD)

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Common Name

Juvenile hormone III skipped bisepoxide

Systematic Name

Methyl (2R,3S,10R)-2,3:10,11-Bisepoxyfarnesoate

Synonyms

LM ID

LMPR0103010033

Formula

C₁₆H₂₆O₄

Exact Mass

Calculate m/z

282.18311

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

PNZGAJXFVAMMGM-ISGOXSRDSA-N

InChi (Click to copy)

InChI=1S/C16H26O4/c1-11(8-9-12-15(2,3)19-12)7-6-10-16(4)13(20-16)14(17)18-5/h7,12-13H,6,8-10H2,1-5H3/b11-7+/t12-,13+,16+/m1/s1

SMILES (Click to copy)

C([C@@H]1O[C@@]1(C)CC/C=C(\C)/CC[C@H]1O[C@]1(C)C)(=O)OC

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Plautia stali (#106108)

Insecta (#50557)

Structure determination of a new juvenile hormone from a heteropteran insect.,
Org Lett, 2009

Pubmed ID: 19863071

Other Databases

CHEBI ID

83643

PubChem CID

44542228

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 2

Aromatic Rings

Rotatable Bonds 8

Van der Waals Molecular Volume 290.52

Topological Polar Surface Area 51.36

Hydrogen Bond Donors

Hydrogen Bond Acceptors 4

logP 4.15

Molar Refractivity 78.52

Admin

Created at

7th Jun 2022

Updated at