Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP03010020
Common NameSM(d18:0/18:0)
Systematic NameN-(octadecanoyl)-sphinganine-1-phosphocholine
SynonymsC18DH Sphingomyelin
Exact Mass
732.6145 (neutral)    Calculate m/z:
FormulaC41H85N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphocholines (sphingomyelins) [SP0301]
AbbrevSM 36:0;O2
Abbrev ChainsSM 18:0;O2/18:0
PubChem CID44260130
HMDB IDHMDB0012087
CHEBI ID89483
SWISSLIPIDS IDSLM:000395869
InChIKeyJCELSEVNSMXGKA-IOLBBIBUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C41H85N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h39-40,44H,6-38H2,1-5H3,(H-,42,45,46,47)/t39-,40+/m0/s1
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SMILES
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms50Rings0Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume		809.79Topological Polar
Surface Area		107.92Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		7
 logP12.21Molar
Refractivity		212.70