Structure Database (LMSD)

Common Name
WE(6:0/25:0)
Systematic Name
Hexyl pentaeicosanate
Synonyms
  • WE(6:0/25:0)
LM ID
LMFA07011099
Formula
C31H62O2
Exact Mass
Calculate m/z
466.47498
Sum Composition
WE 31:0
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
Artabotrys hexapetalus (#225833)
Magnoliopsida (#3398)
Novel lipid constituents identified from the leaves of Artabotrys odoratissimus (R.Br),
Arab. J. Chem., 2017

String Representations

InChiKey (Click to copy)
RZNWIVXRTBJLNF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31(32)33-30-28-8-6-4-2/h3-30H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCCCCC)OCCCCCC

Other Databases

PubChem CID
85561526

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.39
Molar Refractivity 147.46

Admin

Created at
-
Updated at
14th Jun 2023