Structure Database (LMSD)

Common Name
4-Methyl-3-heptyl palmitoleate
Systematic Name
4-Methyl-3-heptyl 9Z-hexadecenoate
Synonyms
  • WE(5:0(1Et,2Me)/16:1(9Z))
LM ID
LMFA07010659
Formula
C24H46O2
Exact Mass
Calculate m/z
366.34978
Sum Composition
WE 24:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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]

Biological Context

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
SXBQGMISTDXSCC-SEYXRHQNSA-N
InChi (Click to copy)
InChI=1S/C24H46O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-23(7-3)22(4)20-6-2/h12-13,22-23H,5-11,14-21H2,1-4H3/b13-12-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\CCCCCC)OC(CC)C(C)CCC

Other Databases

PubChem CID
56936032

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 436.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.29
Molar Refractivity 114.97

Admin

Created at
-
Updated at
-