Structure database (LMSD)

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LM IDLMSP03010026
Common NameSM(d18:0/26:0)
Systematic NameN-(hexacosanoyl)-sphinganine-1-phosphocholine
SynonymsC26DH Sphingomyelin
Exact Mass
844.7397 (neutral)    Calculate m/z:
FormulaC49H101N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphocholines (sphingomyelins) [SP0301]
PubChem CID44260136
SWISSLIPIDS IDSLM:000395864
InChIKeyJDLBFYGFHYCXMD-JYHRMSDVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C49H101N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-
35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34
-32-30-19-17-15-13-11-9-7-2/h47-48,52H,6-46H2,1-5H3,(H-,50,53,54,55)/t47-,48+/m0
/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])
(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms58Rings0Aromatic Rings0Rotatable Bonds47
 van der Waals
Molecular Volume
948.19Topological Polar
Surface Area
107.92Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
7
 logP15.33Molar
Refractivity
249.64