LIPID MAPS

Structure Database (LMSD)

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Common Name

Tensyuic acid B

Systematic Name

2-(6-methoxy-6-oxohexyl)-3-methylenesuccinic acid

Synonyms

LM ID

LMFA01170155

Formula

C₁₂H₁₈O₆

Exact Mass

Calculate m/z

258.11034

Sum Composition

FA 12:3;O4

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

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)

ZMTXIFCPSXJBPW-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C12H18O6/c1-8(11(14)15)9(12(16)17)6-4-3-5-7-10(13)18-2/h9H,1,3-7H2,2H3,(H,14,15)(H,16,17)

SMILES (Click to copy)

C(C(=C)C(C(O)=O)CCCCCC(=O)OC)(=O)O

Other Databases

CHEBI ID

133827

PubChem CID

23651873

Calculated Physicochemical Properties

Heavy Atoms 18

Rings 0

Aromatic Rings 0

Rotatable Bonds 10

Van der Waals Molecular Volume 258.34

Topological Polar Surface Area 100.90

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 1.45

Molar Refractivity 63.00

Admin

Created at

19th May 2021

Updated at