Structure Database (LMSD)

Common Name
Tensyuic acid F
Systematic Name
2-(4-ethoxy-4-oxobutyl)-3-methylenesuccinic acid
Synonyms
LM ID
LMFA01170158
Formula
C11H16O6
Exact Mass
Calculate m/z
244.09469
Sum Composition
FA 11:3;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Dicarboxylic acids [FA0117]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aspergillus niger (#5061)
Eurotiomycetes (#147545)
Absolute configuration of ceriporic acids, the iron redox-silencing metabolites produced by a selective lignin-degrading fungus, Ceriporiopsis subvermispora.,
Chem Phys Lipids, 2009
Pubmed ID: 19477313

String Representations

InChiKey (Click to copy)
DFYGVGBRRIMUSH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H16O6/c1-3-17-9(12)6-4-5-8(11(15)16)7(2)10(13)14/h8H,2-6H2,1H3,(H,13,14)(H,15,16)
SMILES (Click to copy)
C(C(=C)C(C(O)=O)CCCC(=O)OCC)(=O)O

Other Databases

CHEBI ID
133828
PubChem CID
23652019

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 241.04
Topological Polar Surface Area 100.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 1.35
Molar Refractivity 58.88

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Created at
19th May 2021
Updated at
19th May 2021