Structure Database (LMSD)

O O
Common Name
Nonacosyl triacontanoate
Systematic Name
Nonacosyl triacontanoate
Synonyms
  • WE(29:0/30:0)
LM ID
LMFA07011154
Formula
C59H118O2
Exact Mass
Calculate m/z
858.91318
Sum Composition
WE 59:0
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)
BTHYXIMJNLLPMD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C59H118O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59(60)61-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-58H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Swertia (#39241)
Magnoliopsida (#3398)
Anti-inflammatory and ulcerogenic activity of newer phytoisolates of Swertia alata C.B. Clarke.,
Nat Prod Res, 2020
Pubmed ID: 32498574

Other Databases

PubChem CID
168953322

Calculated Physicochemical Properties

Heavy Atoms 61
Rings 0
Aromatic Rings 0
Rotatable Bonds 57
Van der Waals Molecular Volume 1044.20
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 22.31
Molar Refractivity 276.73

Admin

Created at
5th Jun 2020
Updated at
14th Jun 2023