Structure Database (LMSD)

Common Name
Tensyuic acid E
Systematic Name
2-(8-methoxy-8-oxooctyl)-3-methylenesuccinic acid
Synonyms
LM ID
LMFA01170154
Formula
C14H22O6
Exact Mass
Calculate m/z
286.14164
Sum Composition
FA 14:3;O4
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
IOUNJEVHPQCKKE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H22O6/c1-10(13(16)17)11(14(18)19)8-6-4-3-5-7-9-12(15)20-2/h11H,1,3-9H2,2H3,(H,16,17)(H,18,19)
SMILES (Click to copy)
C(C(=C)C(C(O)=O)CCCCCCCC(=O)OC)(=O)O

Other Databases

CHEBI ID
133831
PubChem CID
23652018

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 292.94
Topological Polar Surface Area 100.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.23
Molar Refractivity 72.24

Admin

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