Structure Database (LMSD)

Common Name
30-methyl-,21Z-hentriaconten-31-olactone
Systematic Name
30-methyl-21Z-hentriaconten-31-olide
Synonyms
LM ID
LMFA07040095
Formula
C32H60O2
Exact Mass
Calculate m/z
476.45933
Sum Composition
FA 32:2
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)
CUQGMQKBIMPVSA-OWBHPGMISA-N
InChi (Click to copy)
InChI=1S/C32H60O2/c1-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(33)34-30-31/h12,14,31H,2-11,13,15-30H2,1H3/b14-12-
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCCCC=CCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID
171118970

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 562.10
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.16
Molar Refractivity 149.79

Admin

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