LIPID MAPS

Structure Database (LMSD)

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Common Name

18-methyl-iso-25:0

Systematic Name

18,23-dimethyltetracosanoic acid

Synonyms

LM ID

LMFA01020447

Formula

C₂₆H₅₂O₂

Exact Mass

Calculate m/z

396.39673

Sum Composition

FA 26:0

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

UVSSUMZSKXGOEN-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C26H52O2/c1-24(2)20-18-19-22-25(3)21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-23-26(27)28/h24-25H,4-23H2,1-3H3,(H,27,28)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCCCC(C)CCCCC(C)C)(=O)O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

unclassified Penares (#2630499)

Demospongiae (#6042)

9-Chloro-5,9-dienoic and Other Fatty Acids from Marine Sponge Penares sp.,
Russ J Bioorg Chem, 2024

DOI: 10.1134/S1068162024020249

Calculated Physicochemical Properties

Heavy Atoms 28

Rings

Aromatic Rings

Rotatable Bonds 22

Van der Waals Molecular Volume 473.30

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 9.17

Molar Refractivity 123.98

Admin

Created at

26th Apr 2024

Updated at