LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

delta-octacosanalactone

Systematic Name

5-octacosanolide

Synonyms

LM ID

LMFA07040118

Formula

C₂₈H₅₄O₂

Exact Mass

Calculate m/z

422.41238

Sum Composition

FA 28:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GEDIPNYUUCCFOC-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(29)30-27/h27H,2-26H2,1H3

SMILES (Click to copy)

C1CC(=O)OC(CCCCCCCCCCCCCCCCCCCCCCC)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cerinthe minor (#131385)

Magnoliopsida (#3398)

Homologous long-chain delta-lactones in leaf cuticular waxes of Cerinthe minor,
Phytochemistry, 1999

DOI: 10.1016/S0031-9422(98)00369-0

Other Databases

PubChem CID

100966706

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 0

Rotatable Bonds 22

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

10th Jun 2020

Updated at