Structure Database (LMSD)

Common Name
N-lignoceroyl taurine
Systematic Name
N-tetracosanoyl taurine
Synonyms
  • lignoceroyltaurine
LM ID
LMFA08020252
Formula
C26H53NO4S
Exact Mass
Calculate m/z
475.369531
Sum Composition
NAT 24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Reference
Biosynthesis, degradation and pharmacological importance of the fatty acid amides. Emma K.Farrell and David J.Merkler. Drug Discovery Today. Volume 13, Issues 13–14, 2008, pp. 558-568. doi.org/10.1016/j.drudis.2008.02.006

https://www.sciencedirect.com/science/article/pii/S1359644608000482?via%3Dihub#bib118

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Assignment of endogenous substrates to enzymes by global metabolite profiling.,
Biochemistry, 2004
Pubmed ID: 15533037

String Representations

InChiKey (Click to copy)
DDCFSFYOVZMRHL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H53NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27-24-25-32(29,30)31/h2-25H2,1H3,(H,27,28)(H,29,30,31)
SMILES (Click to copy)
C(CNC(CCCCCCCCCCCCCCCCCCCCCCC)=O)S(O)(=O)=O

Other Databases

CHEBI ID
132505
PubChem CID
53442599
Cayman ID
10007286

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 520.39
Topological Polar Surface Area 83.47
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 9.41
Molar Refractivity 137.56

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Created at
1st Aug 2019
Updated at
16th Feb 2024