Structure Database (LMSD)
Common Name
SM(d18:1/15:0)
Systematic Name
N-(pentadecanoyl)-sphing-4-enine-1-phosphocholine
Synonyms
LM ID
LMSP03010038
Formula
Exact Mass
Calculate m/z
688.551926
Sum Composition
Abbrev Chains
SM 18:1;O2/15:0
Status
Active
3D model of SM(d18:1/15:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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)
LQINJRUGTUOHGS-YPDYIYJKSA-N
InChi (Click to copy)
InChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/b31-29+/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
0
Aromatic Rings
0
Rotatable Bonds
35
Van der Waals Molecular Volume
755.25
Topological Polar Surface Area
107.92
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
logP
10.82
Molar Refractivity
198.75
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Created at
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Updated at
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