LIPID MAPS

Structure Database (LMSD)

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Common Name

16,18-dimethyl-iso-24:0

Systematic Name

16,18,23-trimethyltetracosanoic acid

Synonyms

LM ID

LMFA01020448

Formula

C₂₇H₅₄O₂

Exact Mass

Calculate m/z

410.41238

Sum Composition

FA 27:0

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)

DSJVAYGTGVRBMX-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C27H54O2/c1-24(2)19-17-18-21-26(4)23-25(3)20-15-13-11-9-7-5-6-8-10-12-14-16-22-27(28)29/h24-26H,5-23H2,1-4H3,(H,28,29)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCC(C)CC(C)CCCCC(C)C)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 29

Rings

Aromatic Rings

Rotatable Bonds 22

Van der Waals Molecular Volume 490.60

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 9.41

Molar Refractivity 128.52

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Created at

26th Apr 2024

Updated at