LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

delta-heptacosanalactone

Systematic Name

5-heptacosanolide

Synonyms

LM ID

LMFA07040117

Formula

C₂₇H₅₂O₂

Exact Mass

Calculate m/z

408.39673

Sum Composition

FA 27:1

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

RONCAXWVTXWPAM-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C27H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-24-22-25-27(28)29-26/h26H,2-25H2,1H3

SMILES (Click to copy)

C1CC(=O)OC(CCCCCCCCCCCCCCCCCCCCCC)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

100966704

Calculated Physicochemical Properties

Heavy Atoms 29

Rings 1

Aromatic Rings 0

Rotatable Bonds 21

Van der Waals Molecular Volume 478.24

Topological Polar Surface Area 28.37

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 2

logP 9.58

Molar Refractivity 126.87

Admin

Created at

10th Jun 2020

Updated at