Structure Database (LMSD)

O O
Common Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate
Systematic Name
(E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl decanoate
Synonyms
  • WE(12:3(2E,6E,10E)(3Me,7Me,11Me)/10:0)
LM ID
LMFA07010539
Formula
C25H44O2
Exact Mass
Calculate m/z
376.33413
Sum Composition
WE 25:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
ZSPZCKNQANJUIH-KSTRTYLUSA-N
InChi (Click to copy)
InChI=1S/C25H44O2/c1-6-7-8-9-10-11-12-19-25(26)27-21-20-24(5)18-14-17-23(4)16-13-15-22(2)3/h15,17,20H,6-14,16,18-19,21H2,1-5H3/b23-17+,24-20+
SMILES (Click to copy)
O=C(CCCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
187099
PubChem CID
56935986

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 448.08
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.37
Molar Refractivity 119.47

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Created at
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Updated at
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