Structure database (LMSD)

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LM IDLMSP03010023
Common NameSM(d18:0/24:1(15Z))
Systematic NameN-(15Z-tetracosenoyl)-sphinganine-1-phosphocholine
SynonymsC24:1DH Sphingomyelin
Exact Mass
814.6928 (neutral)    Calculate m/z:
FormulaC47H95N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphocholines (sphingomyelins) [SP0301]
PubChem CID44260133
HMDB IDHMDB0012095
SWISSLIPIDS IDSLM:000395819
InChIKeyXZBDYCJQWJNNJB-CFLZVKAOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-3
7-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-
19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/b21-20
-/t45-,46+/m0/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H]
)(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms56Rings0Aromatic Rings0Rotatable Bonds44
 van der Waals
Molecular Volume
910.95Topological Polar
Surface Area
107.92Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
7
 logP14.33Molar
Refractivity
240.31