Structure Database (LMSD)

Common Name
36-methyl-23Z,29Z-heptatriacontadien-37-olide
Systematic Name
36-methyl-23Z,29Z-heptatriacontadien-37-olide
Synonyms
LM ID
LMFA07040082
Formula
C38H70O2
Exact Mass
Calculate m/z
558.53758
Sum Composition
FA 38:3
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)
IIKVAVXZIQAHSP-XFDJWVETSA-N
InChi (Click to copy)
InChI=1S/C38H70O2/c1-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(39)40-36-37/h10,12,22,24,37H,2-9,11,13-21,23,25-36H2,1H3/b12-10-,24-22-
SMILES (Click to copy)
O=C1OCC(C)CCCCCC=CCCCCC=CCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID
171118999

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 663.26
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 13.28
Molar Refractivity 177.40

Admin

Created at
30th Apr 2020
Updated at
30th Apr 2020