LIPID MAPS

Structure Database (LMSD)

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Common Name

delta-pentacosanalactone

Systematic Name

5-pentacosanolide

Synonyms

LM ID

LMFA07040115

Formula

C₂₅H₄₈O₂

Exact Mass

Calculate m/z

380.36543

Sum Composition

FA 25:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

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

String Representations

InChiKey (Click to copy)

ZAXTWDYRIPXPNX-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25(26)27-24/h24H,2-23H2,1H3

SMILES (Click to copy)

C1CC(=O)OC(CCCCCCCCCCCCCCCCCCCC)C1

Other Databases

PubChem CID

100966702

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 1

Aromatic Rings 0

Rotatable Bonds 19

Van der Waals Molecular Volume 443.64

Topological Polar Surface Area 28.37

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 8.80

Molar Refractivity 117.64

Admin

Created at

10th Jun 2020

Updated at