LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2-ethyl-dec-2E-enoic acid

Synonyms

LM ID

LMFA01020461

Formula

C₁₂H₂₂O₂

Exact Mass

Calculate m/z

198.16198

Sum Composition

FA 12:1

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)

CKBANSOBPOXHMV-ZHACJKMWSA-N

InChi (Click to copy)

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11(4-2)12(13)14/h10H,3-9H2,1-2H3,(H,13,14)/b11-10+

SMILES (Click to copy)

C(/C(/CC)=C/CCCCCCC)(=O)O

Other Databases

PubChem CID

17781888

Calculated Physicochemical Properties

Heavy Atoms 14

Rings

Aromatic Rings

Rotatable Bonds 8

Van der Waals Molecular Volume 228.46

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 3.77

Molar Refractivity 59.39

Admin

Created at

29th Sep 2026

Updated at