Structure Database (LMSD)

Common Name
N-arachidonoyl taurine
Systematic Name
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-taurine
Synonyms
  • NAT
LM ID
LMFA08020075
Formula
C22H37NO4S
Exact Mass
Calculate m/z
411.244331
Sum Composition
NAT 20:4
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]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
A FAAH-regulated class of N-acyl taurines that activates TRP ion channels.,
Biochemistry, 2006
Pubmed ID: 16866345

String Representations

InChiKey (Click to copy)
YUNYSWCRLRYOPO-DOFZRALJSA-N
InChi (Click to copy)
InChI=1S/C22H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-28(25,26)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)(H,25,26,27)/b7-6-,10-9-,13-12-,16-15-
SMILES (Click to copy)
C(CNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)S(O)(=O)=O

Other Databases

CHEBI ID
132506
PubChem CID
42607331
Cayman ID
10005537

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 440.63
Topological Polar Surface Area 83.47
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.96
Molar Refractivity 118.72

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Updated at
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