Structure Database (LMSD)

Common Name
29-methyl-30-triacontanolactone
Systematic Name
29-methyl-30-triacontanolide
Synonyms
LM ID
LMFA07040089
Formula
C31H60O2
Exact Mass
Calculate m/z
464.45933
Sum Composition
FA 31:1
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)
LHFWLHKDFKSZAM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H60O2/c1-30-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-31(32)33-29-30/h30H,2-29H2,1H3
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID
171118860

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 547.44
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.00
Molar Refractivity 145.27

Admin

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