LIPID MAPS

Structure Database (LMSD)

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Common Name

Pantheric acid E

Systematic Name

8-ethoxy-2methylene-8-oxooctanoic acid

Synonyms

LM ID

LMFA07100005

Formula

C₁₁H₁₈O₄

Exact Mass

Calculate m/z

214.12051

Sum Composition

SFE 11:2;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)

MNHXIBYXPCAIOQ-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C11H18O4/c1-3-15-10(12)8-6-4-5-7-9(2)11(13)14/h2-8H2,1H3,(H,13,14)

SMILES (Click to copy)

C(C(=C)CCCCCC(=O)OCC)(=O)O

Other Databases

PubChem CID

170990539

Calculated Physicochemical Properties

Heavy Atoms 15

Rings

Aromatic Rings

Rotatable Bonds 9

Van der Waals Molecular Volume 226.10

Topological Polar Surface Area 63.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 2.43

Molar Refractivity 56.98

Admin

Created at

9th May 2023

Updated at