LIPID MAPS

Structure Database (LMSD)

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Common Name

16-methyl-iso-23:0

Systematic Name

16,21-dimethyldocosanoic acid

Synonyms

LM ID

LMFA01020446

Formula

C₂₄H₄₈O₂

Exact Mass

Calculate m/z

368.36543

Sum Composition

FA 24:0

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

MUGGNJSGCYILQS-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C24H48O2/c1-22(2)18-16-17-20-23(3)19-14-12-10-8-6-4-5-7-9-11-13-15-21-24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCC(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 26

Rings

Aromatic Rings

Rotatable Bonds 20

Van der Waals Molecular Volume 438.70

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 8.38

Molar Refractivity 114.74

Admin

Created at

26th Apr 2024

Updated at