LIPID MAPS

Structure Database (LMSD)

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Systematic Name

2,4-diethylhex-2E-enoic acid

Synonyms

LM ID

LMFA01020458

Formula

C₁₀H₁₈O₂

Exact Mass

Calculate m/z

170.13068

Sum Composition

FA 10:1

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)

DBRXFVOJILHXNE-VQHVLOKHSA-N

InChi (Click to copy)

InChI=1S/C10H18O2/c1-4-8(5-2)7-9(6-3)10(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/b9-7+

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 12

Rings

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 193.86

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 2.84

Molar Refractivity 50.08

Admin

Created at

29th Sep 2026

Updated at