Structure Database (LMSD)
Common Name
SM(d18:0/12:0)
Systematic Name
N-(dodecanoyl)-sphinganine-1-phosphocholine
Synonyms
LM ID
LMSP03010079
Formula
Exact Mass
Calculate m/z
648.520626
Sum Composition
Abbrev Chains
SM 18:0;O2/12:0
Status
Active
3D model of SM(d18:0/12:0)
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)
AAKFURSPBCUAIO-SZAHLOSFSA-N
InChi (Click to copy)
InChI=1S/C35H73N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h33-34,38H,6-32H2,1-5H3,(H-,36,39,40,41)/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
705.99
Topological Polar Surface Area
107.92
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
9.87
Molar Refractivity
185.00
Reactions
Filter by species:
ⓘ
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.
Click on an edge to display the reaction(s).
Admin
Created at
-
Updated at
-