Structure Database (LMSD)

Common Name
32-methyl-13Z,25Z-tritriacontadien-33-olide
Systematic Name
32-methyl-13Z,25Z-tritriacontadien-33-olide
Synonyms
LM ID
LMFA07040069
Formula
C34H62O2
Exact Mass
Calculate m/z
502.47498
Sum Composition
FA 34:3
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)
Structures of the dienoic lactones of horse sebum.,
Comp Biochem Physiol B, 1984
Pubmed ID: 6478788

String Representations

InChiKey (Click to copy)
IKQSFNLZJLQFIZ-IRJVNLBBSA-N
InChi (Click to copy)
InChI=1S/C34H62O2/c1-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(35)36-32-33/h7,9,18,20,33H,2-6,8,10-17,19,21-32H2,1H3/b9-7-,20-18-
SMILES (Click to copy)
C1(CCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCC(C)CO1)=O

Other Databases

PubChem CID
171118977

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 594.06
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.72
Molar Refractivity 158.94

Admin

Created at
29th Apr 2020
Updated at
29th Apr 2020