Structure Database (LMSD)

O O
Common Name
WE(5:0/25:0)
Systematic Name
Pentyl pentaeicosanoate
Synonyms
  • WE(5:0/25:0)
LM ID
LMFA07011100
Formula
C30H60O2
Exact Mass
Calculate m/z
452.45933
Sum Composition
WE 30:0
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)
YEFBLVDAPMXZAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30(31)32-29-27-6-4-2/h3-29H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCCCCC)OCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Artabotrys hexapetalus (#225833)
Magnoliopsida (#3398)
Novel lipid constituents identified from the leaves of Artabotrys odoratissimus (R.Br),
Arab. J. Chem., 2017

Other Databases

PubChem CID
134812242

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 542.50
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.00
Molar Refractivity 142.84

Admin

Created at
-
Updated at
14th Jun 2023