Structure Database (LMSD)

Common Name
34-methyl-25Z-pentatriaconten-35-olactone
Systematic Name
34-methyl-25Z-pentatriaconten-35-olide
Synonyms
LM ID
LMFA07040099
Formula
C36H68O2
Exact Mass
Calculate m/z
532.52193
Sum Composition
FA 36:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Equus caballus (#9796)
Mammalia (#40674)
Skin surface lipids of the horse.,
Lipids, 1980
Pubmed ID: 7392826

String Representations

InChiKey (Click to copy)
XLSLVBBKSQTREK-VLGSPTGOSA-N
InChi (Click to copy)
InChI=1S/C36H68O2/c1-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(37)38-34-35/h16,18,35H,2-15,17,19-34H2,1H3/b18-16-
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID
171118992

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 631.30
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.72
Molar Refractivity 168.26

Admin

Created at
8th May 2020
Updated at
8th May 2020