LIPID MAPS

Structure Database (LMSD)

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Common Name

Passifetilactone E

Systematic Name

5S-hydroxy-2Z-icosen-4R-olide

Synonyms

LM ID

LMFA07040201

Formula

C₂₀H₃₆O₃

Exact Mass

Calculate m/z

324.266445

Sum Composition

FA 19:2;O

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

HXXMLSCCBICJCQ-MOPGFXCFSA-N

InChi (Click to copy)

InChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20(22)23-19/h16-19,21H,2-15H2,1H3/t18-,19+/m1/s1

SMILES (Click to copy)

[C@H](O)([C@H]1OC(=O)C=C1)CCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Passiflora foetida (#159421)

Magnoliopsida (#3398)

Passifetilactones A-E, Fatty Acid Lactones from the Fruit and Flowers of Passiflora foetida with Cytotoxic Activity.,
J Nat Prod, 2024

Pubmed ID: 38787359

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 0

Rotatable Bonds 15

Van der Waals Molecular Volume 363.29

Topological Polar Surface Area 48.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 5.88

Molar Refractivity 96.36

Admin

Created at

5th Jun 2024

Updated at