LIPID MAPS

Structure Database (LMSD)

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Systematic Name

13-methyl-6Z-Tetradecenoic acid

Synonyms

LM ID

LMFA01020455

Formula

C₁₅H₂₈O₂

Exact Mass

Calculate m/z

240.20893

Sum Composition

FA 15:1

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

A Facile Workflow for Sebum Fatty Acids and Squalene Identification via Advanced Lipidomic Methodologies.,
Anal Chem, 2025

Pubmed ID: 40314595

String Representations

InChiKey (Click to copy)

AXBJKAMUOYSBFA-HYXAFXHYSA-N

InChi (Click to copy)

InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h3,5,14H,4,6-13H2,1-2H3,(H,16,17)/b5-3-

SMILES (Click to copy)

C(CCCC/C=C\CCCCCC(C)C)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 17

Rings

Aromatic Rings

Rotatable Bonds 11

Van der Waals Molecular Volume 280.36

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 4.79

Molar Refractivity 73.17

Admin

Created at

29th May 2025

Updated at