Structure Database (LMSD)

O O
Systematic Name
2-Phenylethyl 11Z-hexadecenoate
Synonyms
LM ID
LMFA07011187
Formula
C24H38O2
Exact Mass
Calculate m/z
358.28718
Sum Composition
WE 24:5
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]

String Representations

InChiKey (Click to copy)
SICIUJCAQVBMHR-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h5-6,14-16,18-19H,2-4,7-13,17,20-22H2,1H3/b6-5-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\CCCC)(=O)OCCC1=CC=CC=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bicyclus martius (#887844)
Insecta (#50557)
Identification and biosynthesis of novel male specific esters in the wings of the tropical butterfly, Bicyclus martius sanaos.,
J Chem Ecol, 2014
Pubmed ID: 24894159

Other Databases

PubChem CID
129866813

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 1
Rotatable Bonds 17
Van der Waals Molecular Volume 404.88
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 7.31
Molar Refractivity 111.81

Admin

Created at
6th Oct 2021
Updated at
6th Oct 2021