LIPID MAPS

Structure Database (LMSD)

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Common Name

22-methyllignoceric acid

Systematic Name

22-methyltetracosanoic acid

Synonyms

LM ID

LMFA01020456

Formula

C₂₅H₅₀O₂

Exact Mass

Calculate m/z

382.381081

Sum Composition

FA 25:0

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)

ROFGTBFWXLYRFY-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C25H50O2/c1-3-24(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCCCCCCCC(C)CC)(=O)O

Other Databases

CHEBI ID

84882

PubChem CID

15047965

Calculated Physicochemical Properties

Heavy Atoms 27

Rings

Aromatic Rings

Rotatable Bonds 22

Van der Waals Molecular Volume 456.00

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 8.92

Molar Refractivity 119.43

Admin

Created at

30th May 2025

Updated at