LIPID MAPS

Structure Database (LMSD)

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Common Name

Cladosporester C

Systematic Name

1-glycero-10-methyl-2E-decenedioate

Synonyms

LM ID

LMFA01170149

Formula

C₁₄H₂₄O₆

Exact Mass

Calculate m/z

288.15729

Sum Composition

FA 14:2;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cladosporium cladosporioides (#29917)

Dothideomycetes (#147541)

Fatty acid derivatives from the halotolerant fungus Cladosporium cladosporioides.,
Magn Reson Chem, 2018

Pubmed ID: 28847042

String Representations

InChiKey (Click to copy)

WABSIBOPGQPWRD-VQHVLOKHSA-N

InChi (Click to copy)

InChI=1S/C14H24O6/c1-19-13(17)8-6-4-2-3-5-7-9-14(18)20-11-12(16)10-15/h7,9,12,15-16H,2-6,8,10-11H2,1H3/b9-7+

SMILES (Click to copy)

C(/C=C/CCCCCCC(=O)OC)(=O)OCC(O)CO

Other Databases

PubChem CID

156581609

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 0

Aromatic Rings 0

Rotatable Bonds 13

Van der Waals Molecular Volume 295.58

Topological Polar Surface Area 93.06

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 6

logP 1.81

Molar Refractivity 74.40

Admin

Created at

17th Jul 2020

Updated at