In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP03019AAP
Common NameSM(d14:0/16:0)
Systematic NameN-(hexadecanoyl)-tetradecasphinganine-1-phosphocholine
Synonyms-
Exact Mass
648.5206 (neutral)    Calculate m/z:
FormulaC35H73N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphocholines (sphingomyelins) [SP0301]
PubChem Compound ID (CID)-
InChIKeyVLRUBNSQFHFVRK-SZAHLOSFSA-N
InChIInChI=1S/C35H73N2O6P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-35(39)36-33(32-4
3-44(40,41)42-31-30-37(3,4)5)34(38)28-26-24-22-20-15-13-11-9-7-2/h33-34,38H,6-32
H2,1-5H3,(H-,36,39,40,41)/t33-,34+/m0/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCC
CCCC
MS Spectra-     
StatusActive (generated by computational methods)