LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Erectusfuranone B

Systematic Name

4-(2S-hydroxyoctadecyl)furan-2(5H)-one

Synonyms

LM ID

LMFA07040160

Formula

C₂₂H₄₀O₃

Exact Mass

Calculate m/z

352.297746

Sum Composition

FA 22:2;O

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Hippospongia lachne (#479639)

Demospongiae (#6042)

Hippobutenolides A and B, two new long-chain fatty acid esters from the marine sponge Hippospongia lachne,
Tetrahedron Letts, 2021

DOI: 10.1016/j.tetlet.2021.153437

String Representations

InChiKey (Click to copy)

OAYMEFORXFABDF-OAQYLSRUSA-N

InChi (Click to copy)

InChI=1S/C22H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)17-20-18-22(24)25-19-20/h18,21,23H,2-17,19H2,1H3/t21-/m1/s1

SMILES (Click to copy)

C1(=O)C=C(C[C@H](O)CCCCCCCCCCCCCCCC)CO1

Other Databases

PubChem CID

163111802

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 1

Aromatic Rings

Rotatable Bonds 17

Van der Waals Molecular Volume 397.89

Topological Polar Surface Area 48.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 3

logP 6.66

Molar Refractivity 105.60

Admin

Created at

9th Nov 2021

Updated at