Structure database (LMSD)

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LM IDLMSP03010030
Common NameSM(d18:0/14:0)
Systematic NameN-(tetradecanoyl)-sphinganine-1-phosphocholine
SynonymsC14DH Sphingomyelin
Exact Mass
676.5519 (neutral)    Calculate m/z:
FormulaC37H77N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphocholines (sphingomyelins) [SP0301]
PubChem CID44260138
HMDB IDHMDB0012085
SWISSLIPIDS IDSLM:000395874
InChIKeyMJAFYELZQYPMQG-MPQUPPDSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H77N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-4
6(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h35-36,40
H,6-34H2,1-5H3,(H-,38,41,42,43)/t35-,36+/m0/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCC
CCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
740.59Topological Polar
Surface Area
107.92Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
7
 logP10.65Molar
Refractivity
194.23