Structure Database (LMSD)

Common Name
SFE 1:0/16:1(8Z)(14Me)
Systematic Name
Methyl 14-methyl-8Z-hexadecenoate
Synonyms
  • WE(1:0/16:1(8Z)(14Me))
LM ID
LMFA07010500
Formula
C18H34O2
Exact Mass
Calculate m/z
282.255881
Sum Composition
SFE 18:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Trogoderma inclusum (#1544428)
Insecta (#50557)
Sex Attractant of Female Dermestid Beetle Trogoderma inclusum Le Conte.,
Science, 1969
Pubmed ID: 17777004

String Representations

InChiKey (Click to copy)
KXKSZSXMFYJWFU-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h5,7,17H,4,6,8-16H2,1-3H3/b7-5-
SMILES (Click to copy)
O=C(CCCCCC/C=C\CCCCC(C)CC)OC

Other Databases

CHEBI ID
196173
PubChem CID
20838712

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 86.78

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Created at
-
Updated at
28th Feb 2025