Structure Database (LMSD)
Common Name
N,N,N-trimethyl-sphingosine
Systematic Name
N,N,N-trimethyl-sphing-4E-enine
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of N,N,N-trimethyl-sphingosine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
XOKJULOVXVISRP-BWMVHVDHSA-N
InChi (Click to copy)
InChI=1S/C21H44NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)20(19-23)22(2,3)4/h17-18,20-21,23-24H,5-16,19H2,1-4H3/q+1/b18-17+/t20-,21+/m0/s1
SMILES (Click to copy)
OC[C@]([H])([N+](C)(C)C)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
399.12
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.53
Molar Refractivity
106.65
Admin
Created at
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Updated at
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