LIPID MAPS

Structure Database (LMSD)

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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

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1016/j.drudis.2008.02.006

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

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