In-Silico Structure Database (LMISSD)

Common Name
Taurine 12:0
Systematic Name
N-(dodecanoyl)-taurine
LM ID
LMISFA0805A942
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
307.181731
Formula
C14H29NO4S
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amino acids [FA0805]

String Representations

InChiKey (Click to copy)
KCFRUUYAXCDZNZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H29NO4S/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19/h2-13H2,1H3,(H,15,16)(H,17,18,19)
SMILES (Click to copy)
CCCCCCCCCCCC(=NCCS(=O)(=O)O)O

References

Other Databases