LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3,9-dimethylundecanoic acid

Synonyms

LM ID

LMFA01020462

Formula

C₁₃H₂₆O₂

Exact Mass

Calculate m/z

214.19328

Sum Composition

FA 13:0

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Felis catus (#9685)

Mammalia (#40674)

Signatures of branched-chain fatty acids derived from a kidney reservoir confer stable chemical individuality on domestic cats.,
Curr Biol, 2026

Pubmed ID: 42617604

DOI: 10.1016/j.cub.2026.07.045

String Representations

InChiKey (Click to copy)

CDMJWVYZDAJRMO-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C13H26O2/c1-4-11(2)8-6-5-7-9-12(3)10-13(14)15/h11-12H,4-10H2,1-3H3,(H,14,15)

SMILES (Click to copy)

C(CC(C)CCCCCC(C)CC)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 15

Rings

Aromatic Rings

Rotatable Bonds 9

Van der Waals Molecular Volume 248.40

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 4.09

Molar Refractivity 63.96

Admin

Created at

29th Sep 2026

Updated at