Structure Database (LMSD)

Common Name
28-methyl-29-nonacosanolactone
Systematic Name
28-methyl-29-nonacosanolide
Synonyms
LM ID
LMFA07040088
Formula
C30H60O2
Exact Mass
Calculate m/z
452.45933
Sum Composition
FA 30:0
Status
Curated
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)
GOJZTBWNHGHMOT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O2/c1-29-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-30(31)32-28-29/h29-31H,2-28H2,1H3
SMILES (Click to copy)
C1(O)OCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID
171118859

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 532.78
Topological Polar Surface Area 31.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.68
Molar Refractivity 142.17

Admin

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