Structure Database (LMSD)

Common Name
31-methyl-24Z-dotriaconten-32-olactone
Systematic Name
31-methyl-24Z-dotriaconten-32-olide
Synonyms
LM ID
LMFA07040102
Formula
C33H62O2
Exact Mass
Calculate m/z
490.47498
Sum Composition
FA 33:2
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)
WFRXYRYZWKLXIH-ZPHPHTNESA-N
InChi (Click to copy)
InChI=1S/C33H62O2/c1-32-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(34)35-31-32/h17,19,32H,2-16,18,20-31H2,1H3/b19-17-
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCC=CCCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID
171118974

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 579.40
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.55
Molar Refractivity 154.41

Admin

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