LIPID MAPS

Structure Database (LMSD)

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Common Name

28-octacosanolactone

Systematic Name

28-octacosanolide

Synonyms

LM ID

LMFA07040093

Formula

C₂₈H₅₄O₂

Exact Mass

Calculate m/z

422.41238

Sum Composition

FA 28:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Equus grevyi (#9792)

Mammalia (#40674)

Variation in skin surface lipid composition among the Equidae.,
Comp Biochem Physiol B, 1983

Pubmed ID: 6883996

String Representations

InChiKey (Click to copy)

JPCLSLDKJICTIX-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C28H54O2/c29-28-26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28/h1-27H2

SMILES (Click to copy)

C1(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID

12268267

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 495.54

Topological Polar Surface Area 28.37

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 9.97

Molar Refractivity 131.49

Admin

Created at

8th May 2020

Updated at