Structure Database (LMSD)
Common Name
N-palmitoyl taurine
Systematic Name
N-hexadecanoyl-taurine
Synonyms
LM ID
LMFA08020080
Formula
Exact Mass
Calculate m/z
363.244331
Sum Composition
Status
Active
3D model of N-palmitoyl taurine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
LPDJCYFKKSLKRO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23)
SMILES (Click to copy)
C(CNC(CCCCCCCCCCCCCCC)=O)S(O)(=O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
381.99
Topological Polar Surface Area
83.47
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
6.29
Molar Refractivity
100.62
Admin
Created at
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Updated at
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