Structure Database (LMSD)

OH O O O N H S
Common Name
N-tricosanoyl taurine
Systematic Name
N-tricosanoyl taurine
Synonyms
LM ID
LMFA08020251
Formula
C25H51NO4S
Exact Mass
Calculate m/z
461.353881
Sum Composition
NAT 23:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
NNEJCMAQXBYQCD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H51NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)26-23-24-31(28,29)30/h2-24H2,1H3,(H,26,27)(H,28,29,30)
SMILES (Click to copy)
C(CNC(CCCCCCCCCCCCCCCCCCCCCC)=O)S(O)(=O)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Biosynthesis, degradation and pharmacological importance of the fatty acid amides.,
Drug Discov Today, 2008
Pubmed ID: 18598910

Other Databases

PubChem CID
86014201

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 503.09
Topological Polar Surface Area 83.47
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 9.02
Molar Refractivity 132.94

Admin

Created at
1st Aug 2019
Updated at
1st Aug 2019