LIPID MAPS

Structure Database (LMSD)

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Common Name

18,20-dimethyl-iso-26:0

Systematic Name

18,20,24-trimethylpentacosanoic acid

Synonyms

LM ID

LMFA01020449

Formula

C₂₈H₅₆O₂

Exact Mass

Calculate m/z

424.42803

Sum Composition

FA 28:0

Status

Active

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)

OUQSXJGBWYBANF-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C28H56O2/c1-25(2)20-19-22-27(4)24-26(3)21-17-15-13-11-9-7-5-6-8-10-12-14-16-18-23-28(29)30/h25-27H,5-24H2,1-4H3,(H,29,30)

SMILES (Click to copy)

C(CCCCCCCCCCCCCCCCC(C)CC(C)CCCC(C)C)(=O)O

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 0

Aromatic Rings 0

Rotatable Bonds 23

Van der Waals Molecular Volume 507.90

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 9.80

Molar Refractivity 133.14

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Created at

26th Apr 2024

Updated at