LIPID MAPS

Structure Database (LMSD)

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Common Name

Pantheric acid F

Systematic Name

10-ethoxy-2methylene-10-oxodecanoic acid

Synonyms

LM ID

LMFA07100006

Formula

C₁₃H₂₂O₄

Exact Mass

Calculate m/z

242.15181

Sum Composition

SFE 13:2;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus sp. (#5065)

Eurotiomycetes (#147545)

Three new unsaturated fatty acids from marine-derived fungus Aspergillus sp. SCAU150.,
Nat Prod Res, 2022

Pubmed ID: 33764238

String Representations

InChiKey (Click to copy)

NLHBAEDJNAFJHZ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C13H22O4/c1-3-17-12(14)10-8-6-4-5-7-9-11(2)13(15)16/h2-10H2,1H3,(H,15,16)

SMILES (Click to copy)

C(CCCCCCC(=O)OCC)C(C(=O)O)=C

Other Databases

PubChem CID

170990540

Calculated Physicochemical Properties

Heavy Atoms 17

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 260.70

Topological Polar Surface Area 63.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 3.21

Molar Refractivity 66.22

Admin

Created at

9th May 2023

Updated at