In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP03019AAH
Common NameSM(d14:0/13:0)
Systematic NameN-(tridecanoyl)-tetradecasphinganine-1-phosphocholine
Synonyms-
Exact Mass
606.4737 (neutral)    Calculate m/z:
FormulaC32H67N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphocholines (sphingomyelins) [SP0301]
PubChem Compound ID (CID)-
InChIKeyVBMZMWFMLWOIIH-IOWSJCHKSA-N
InChIInChI=1S/C32H67N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-32(36)33-30(29-40-41(37,3
8)39-28-27-34(3,4)5)31(35)25-23-21-19-17-15-13-11-9-7-2/h30-31,35H,6-29H2,1-5H3,
(H-,33,36,37,38)/t30-,31+/m0/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCC
C
MS Spectra-     
StatusActive (generated by computational methods)