Structure Database (LMSD)

O O
Common Name
33-methyl-34-tetratriacontalactone
Systematic Name
33-methyl-34-tetratriacontanolide
Synonyms
LM ID
LMFA07040085
Formula
C35H68O2
Exact Mass
Calculate m/z
520.52193
Sum Composition
FA 35:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
FJANTGGKWZIVPO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H68O2/c1-34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(36)37-33-34/h34H,2-33H2,1H3
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1

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

Other Databases

PubChem CID
171118986

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 616.64
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.56
Molar Refractivity 163.74

Admin

Created at
1st May 2020
Updated at
1st May 2020