LIPID MAPS

Structure Database (LMSD)

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Common Name

delta-hexacosanalactone

Systematic Name

5-hexacosanolide

Synonyms

LM ID

LMFA07040116

Formula

C₂₆H₅₀O₂

Exact Mass

Calculate m/z

394.38108

Sum Composition

FA 26:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

QMWWHIYRYXABJH-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(27)28-25/h25H,2-24H2,1H3

SMILES (Click to copy)

C1CC(=O)OC(CCCCCCCCCCCCCCCCCCCCC)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

85896840

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 1

Aromatic Rings 0

Rotatable Bonds 20

Van der Waals Molecular Volume 460.94

Topological Polar Surface Area 28.37

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 9.19

Molar Refractivity 122.26

Admin

Created at

10th Jun 2020

Updated at