Structure Database (LMSD)

Common Name
Bombykol linolenate
Systematic Name
10E,12Z-hexadecadienyl 9Z,12Z,15Z-octadecatrienoate
Synonyms
  • WE(16:2(10E,12Z)/18:3(9Z,12Z,15Z))
LM ID
LMFA07011195
Formula
C34H58O2
Exact Mass
Calculate m/z
498.44368
Sum Composition
WE 34:5
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bombyx mori (#7091)
Insecta (#50557)
The identification of bombykol linolenate in the haemolymph of the female silkworm pupa, Bombyx mori,
Insect Biochem, 1985

String Representations

InChiKey (Click to copy)
LHKUGDSAONBNDE-CXHXJJQHSA-N
InChi (Click to copy)
InChI=1S/C34H58O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7-8,10-14,17,19H,3-4,6,9,15-16,18,20-33H2,1-2H3/b7-5-,10-8-,13-11-,14-12+,19-17-
SMILES (Click to copy)
CCC/C=C\C=C\CCCCCCCCCOC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O

Other Databases

PubChem CID
171119390

Calculated Physicochemical Properties

Heavy Atoms 36
Rings
Aromatic Rings
Rotatable Bonds 27
Van der Waals Molecular Volume 598.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 11.44
Molar Refractivity 160.84

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Created at
17th May 2022
Updated at
14th Jun 2023