In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP03019AAN
Common NameSM(d14:0/15:1(9Z))
Systematic NameN-(9Z-pentadecenoyl)-tetradecasphinganine-1-phosphocholine
Synonyms-
Exact Mass
632.4893 (neutral)    Calculate m/z:
FormulaC34H69N2O6P
CategorySphingolipids [SP]
Main ClassPhosphosphingolipids [SP03]
Sub ClassCeramide phosphocholines (sphingomyelins) [SP0301]
PubChem Compound ID (CID)-
InChIKeyRUSIBWYQIDGZBS-CKBUOUJASA-N
InChIInChI=1S/C34H69N2O6P/c1-6-8-10-12-14-16-17-18-20-22-24-26-28-34(38)35-32(31-42-4
3(39,40)41-30-29-36(3,4)5)33(37)27-25-23-21-19-15-13-11-9-7-2/h14,16,32-33,37H,6
-13,15,17-31H2,1-5H3,(H-,35,38,39,40)/b16-14-/t32-,33+/m0/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCC/C=C\CCCCC)=O)[C@]([H])(O)CCCCC
CCCCCC
MS Spectra-     
StatusActive (generated by computational methods)