LIPID MAPS

Structure Database (LMSD)

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Common Name

SFE 1:0/12:0(2Me,6Me,10Me)

Systematic Name

Methyl 2,6,10-trimethyl-dodecanoate

Synonyms

WE(1:0/12:0(2Me,6Me,10Me))

LM ID

LMFA07010485

Formula

C₁₆H₃₂O₂

Exact Mass

Calculate m/z

256.240231

Sum Composition

SFE 16:0

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Pherobase Semiochemicals

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Euschistus obscurus (#1513910)

Insecta (#50557)

and neotropical stink bugs (Heteroptera: Pentatomidae),
J Chem Ecology, 1994

DOI: 10.1007/BF02059746 Identification of male-specific volatiles from nearctic

String Representations

InChiKey (Click to copy)

CYGVOXJONVUXQO-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H32O2/c1-6-13(2)9-7-10-14(3)11-8-12-15(4)16(17)18-5/h13-15H,6-12H2,1-5H3

SMILES (Click to copy)

O=C(C(C)CCCC(C)CCCC(C)CC)OC

Other Databases

CHEBI ID

179735

PubChem CID

11459540

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 0

Aromatic Rings 0

Rotatable Bonds 11

Van der Waals Molecular Volume 300.30

Topological Polar Surface Area 26.30

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 4.82

Molar Refractivity 77.50

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Created at

Updated at

27th May 2025